5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide

C12H20N2O2S2 — CID 114102371

IUPAC5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2csc(CN)c2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-2-3-12(4-5-12)9-14-18(15,16)11-6-10(7-13)17-8-11/h6,8,14H,2-5,7,9,13H2,1H3
InChIKeyOKZQZOQTRZMQQG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.07
Rot. Bonds7

About 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide (PubChem CID 114102371) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
PubChem CID114102371
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2csc(CN)c2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-2-3-12(4-5-12)9-14-18(15,16)11-6-10(7-13)17-8-11/h6,8,14H,2-5,7,9,13H2,1H3
InChIKeyOKZQZOQTRZMQQG-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114099312
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106018473
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide (CID 114102371) is 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide is CCCC1(CNS(=O)(=O)c2csc(CN)c2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide?
The InChIKey is OKZQZOQTRZMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-3-12(4-5-12)9-14-18(15,16)11-6-10(7-13)17-8-11/h6,8,14H,2-5,7,9,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 114102371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).