N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide

C16H24N2O2S — CID 106024888

IUPACN-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CNC2CC2)cc1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C16H24N2O2S/c1-12-5-6-14(10-17-15-7-8-15)9-16(12)21(19,20)18-11-13-3-2-4-13/h5-6,9,13,15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyXYKOZDPRBXXRKE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.33
Rot. Bonds7

About N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide

N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide (PubChem CID 106024888) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
PubChem CID106024888
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(CNC2CC2)cc1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C16H24N2O2S/c1-12-5-6-14(10-17-15-7-8-15)9-16(12)21(19,20)18-11-13-3-2-4-13/h5-6,9,13,15,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyXYKOZDPRBXXRKE-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046633
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-2-methylbenzenesulfonamide
CID 60843963
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
2-bromo-N-(cyclobutylmethyl)-5-(ethylaminomethyl)-3-methylbenzenesulfonamide
CID 106024958

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide (CID 106024888) is N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide is Cc1ccc(CNC2CC2)cc1S(=O)(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide?
The InChIKey is XYKOZDPRBXXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-5-6-14(10-17-15-7-8-15)9-16(12)21(19,20)18-11-13-3-2-4-13/h5-6,9,13,15,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide?
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106024888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).