3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide

C10H17ClN2O2S2 — CID 97353451

IUPAC3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-6-3-7-17(14,15)12-2/h4-5,8,12-13H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyVSLKSXANHIQCKU-QMMMGPOBSA-N
MW296.85 g/mol
LogP1.99
Rot. Bonds7

About 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide

3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide (PubChem CID 97353451) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
PubChem CID97353451
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-6-3-7-17(14,15)12-2/h4-5,8,12-13H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyVSLKSXANHIQCKU-QMMMGPOBSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 51.99
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-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
CID 106003944
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide (CID 97353451) is 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN[C@@H](C)c1ccc(Cl)s1.
What is the InChIKey of 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide?
The InChIKey is VSLKSXANHIQCKU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-8(9-4-5-10(11)16-9)13-6-3-7-17(14,15)12-2/h4-5,8,12-13H,3,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide?
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide has a molecular weight of 296.85 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 97353451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).