(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine

C9H13ClN2O2S2 — CID 103100505

IUPAC(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C2)sc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-3-2-7(11)5-12/h4,7H,2-3,5,11H2,1H3/t7-/m0/s1
InChIKeyDJZACBKSDYKJJJ-ZETCQYMHSA-N
MW280.80 g/mol
LogP1.43
Rot. Bonds2

About (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine

(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine (PubChem CID 103100505) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
PubChem CID103100505
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESCc1cc(S(=O)(=O)N2CC[C@H](N)C2)sc1Cl
InChIInChI=1S/C9H13ClN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-3-2-7(11)5-12/h4,7H,2-3,5,11H2,1H3/t7-/m0/s1
InChIKeyDJZACBKSDYKJJJ-ZETCQYMHSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704
2-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120712849
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962586
(3S)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-amine
CID 124517018
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine (CID 103100505) is (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine is Cc1cc(S(=O)(=O)N2CC[C@H](N)C2)sc1Cl.
What is the InChIKey of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is DJZACBKSDYKJJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-6-4-8(15-9(6)10)16(13,14)12-3-2-7(11)5-12/h4,7H,2-3,5,11H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 280.80 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 103100505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).