(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C9H15ClN2O2S2 — CID 119993403

IUPAC(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)s1.Cl
InChIInChI=1S/C9H14N2O2S2.ClH/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11;/h2-3,8H,4-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyFSNCQEZDNMWIKA-QRPNPIFTSA-N
MW282.82 g/mol
LogP1.20
Rot. Bonds2

About (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119993403) has the molecular formula C9H15ClN2O2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119993403
Molecular FormulaC9H15ClN2O2S2
Molecular Weight282.82 g/mol
Exact Mass282.03
IUPAC Name(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](N)C2)s1.Cl
InChIInChI=1S/C9H14N2O2S2.ClH/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11;/h2-3,8H,4-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyFSNCQEZDNMWIKA-QRPNPIFTSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959754
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119993403) is (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CC[C@H](N)C2)s1.Cl.
What is the InChIKey of (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is FSNCQEZDNMWIKA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N2O2S2.ClH/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11;/h2-3,8H,4-6,10H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119993403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).