N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H22N2O2S2 — CID 106026679

IUPACN-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H22N2O2S2/c1-10-9-18-12(8-14-2)13(10)19(16,17)15-7-11-5-3-4-6-11/h9,11,14-15H,3-8H2,1-2H3
InChIKeyHALIJARQEYHWSI-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.24
Rot. Bonds6

About N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106026679) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106026679
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H22N2O2S2/c1-10-9-18-12(8-14-2)13(10)19(16,17)15-7-11-5-3-4-6-11/h9,11,14-15H,3-8H2,1-2H3
InChIKeyHALIJARQEYHWSI-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-(cyclopentylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027277
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
4-methyl-2-(propylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089237
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
4-methyl-N-(oxolan-3-ylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102753505
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
CID 106015963
4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091673
4-methyl-2-(methylaminomethyl)-N-[(2-methyloxolan-2-yl)methyl]thiophene-3-sulfonamide
CID 102754376
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106026679) is N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is HALIJARQEYHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-9-18-12(8-14-2)13(10)19(16,17)15-7-11-5-3-4-6-11/h9,11,14-15H,3-8H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106026679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).