5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide

C8H12N2O2S2 — CID 131173158

IUPAC5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
SMILESN[C@H](c1ccc(S(N)(=O)=O)s1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c9-8(5-1-2-5)6-3-4-7(13-6)14(10,11)12/h3-5,8H,1-2,9H2,(H2,10,11,12)/t8-/m0/s1
InChIKeyZYQJEXZQGVCBBY-QMMMGPOBSA-N
MW232.33 g/mol
LogP0.81
Rot. Bonds3

About 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide

5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 131173158) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID131173158
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
SMILESN[C@H](c1ccc(S(N)(=O)=O)s1)C1CC1
InChIInChI=1S/C8H12N2O2S2/c9-8(5-1-2-5)6-3-4-7(13-6)14(10,11)12/h3-5,8H,1-2,9H2,(H2,10,11,12)/t8-/m0/s1
InChIKeyZYQJEXZQGVCBBY-QMMMGPOBSA-N
XLogP0.81
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl(methylamino)methyl]thiophene-2-sulfonamide
CID 146570649
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine
CID 130673381
5-[1-(cyclopentylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 105361263
(S)-cyclopropyl-(5-nitrothiophen-2-yl)methanamine;hydrochloride
CID 171236387
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567
4-[amino-(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116938801
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 60862958
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
CID 107589478
5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134149

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide (CID 131173158) is 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide is N[C@H](c1ccc(S(N)(=O)=O)s1)C1CC1.
What is the InChIKey of 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZYQJEXZQGVCBBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c9-8(5-1-2-5)6-3-4-7(13-6)14(10,11)12/h3-5,8H,1-2,9H2,(H2,10,11,12)/t8-/m0/s1.
What are the key properties of 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide?
5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 232.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 131173158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).