N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide

C13H22N2O2S2 — CID 102752081

IUPACN-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C13H22N2O2S2/c1-3-6-14-8-12-13(10(2)9-18-12)19(16,17)15-7-11-4-5-11/h9,11,14-15H,3-8H2,1-2H3
InChIKeyFTEZEGTZDALODJ-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.24
Rot. Bonds8

About N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 102752081) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID102752081
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1scc(C)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C13H22N2O2S2/c1-3-6-14-8-12-13(10(2)9-18-12)19(16,17)15-7-11-4-5-11/h9,11,14-15H,3-8H2,1-2H3
InChIKeyFTEZEGTZDALODJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,2-dimethylcyclopropyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753136
N',N',4-trimethyl-2-(propylaminomethyl)thiophene-3-sulfonohydrazide
CID 114141864
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-methylthiophen-2-yl]methyl]propan-1-amine
CID 102752734

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 102752081) is N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1scc(C)c1S(=O)(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FTEZEGTZDALODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-6-14-8-12-13(10(2)9-18-12)19(16,17)15-7-11-4-5-11/h9,11,14-15H,3-8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).