N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide

C14H17N5O3S — CID 24803706

IUPACN-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide
SMILESCCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(=O)[nH]c3n12
InChIInChI=1S/C14H17N5O3S/c1-4-5-10-15-8(2)12-13(18-23(3,21)22)16-9-6-7-11(20)17-14(9)19(10)12/h6-7H,4-5H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyAZMMNVZCHBPOLJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.20
Rot. Bonds4

About N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide

N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide (PubChem CID 24803706) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide
PubChem CID24803706
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide
SMILESCCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(=O)[nH]c3n12
InChIInChI=1S/C14H17N5O3S/c1-4-5-10-15-8(2)12-13(18-23(3,21)22)16-9-6-7-11(20)17-14(9)19(10)12/h6-7H,4-5H2,1-3H3,(H,16,18)(H,17,20)
InChIKeyAZMMNVZCHBPOLJ-UHFFFAOYSA-N
XLogP1.20
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)propane-2-sulfonamide
CID 24803543
3-ethyl-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
CID 10198727
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-N-methylmethanesulfonamide
CID 46831673
1-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-3-methylurea
CID 24803227
CID 161067941
CID 161067941
5,7-dimethyl-12-piperidin-1-yl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 24803055
3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 175739970
N-[1-(2-chlorophenyl)-7-methoxy-3-methylimidazo[1,5-a]quinoxalin-4-yl]methanesulfonamide
CID 42623295
N-[4-(tert-butylamino)-3-propylquinolin-2-yl]methanesulfonamide
CID 154702021
8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile
CID 42623135
12-methoxy-N,N,5-trimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 42624219

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide?
The IUPAC name of N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide (CID 24803706) is N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide?
The canonical SMILES for N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide is CCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(=O)[nH]c3n12.
What is the InChIKey of N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide?
The InChIKey is AZMMNVZCHBPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-4-5-10-15-8(2)12-13(18-23(3,21)22)16-9-6-7-11(20)17-14(9)19(10)12/h6-7H,4-5H2,1-3H3,(H,16,18)(H,17,20).
What are the key properties of N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide?
N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-12-oxo-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-7-yl)methanesulfonamide is sourced from PubChem (CID 24803706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).