[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C14H16N2O3S2 — CID 125154744

IUPAC[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C14H16N2O3S2/c15-21(18,19)9-10-5-6-16(8-10)14(17)13-7-11-3-1-2-4-12(11)20-13/h1-4,7,10H,5-6,8-9H2,(H2,15,18,19)/t10-/m0/s1
InChIKeyAQQOFDPXAKNOSV-JTQLQIEISA-N
MW324.43 g/mol
LogP1.65
Rot. Bonds3

About [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125154744) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID125154744
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C14H16N2O3S2/c15-21(18,19)9-10-5-6-16(8-10)14(17)13-7-11-3-1-2-4-12(11)20-13/h1-4,7,10H,5-6,8-9H2,(H2,15,18,19)/t10-/m0/s1
InChIKeyAQQOFDPXAKNOSV-JTQLQIEISA-N
XLogP1.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
1-benzothiophen-2-yl-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892674
(5-amino-1-benzothiophen-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64571213
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 125154744) is [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1.
What is the InChIKey of [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AQQOFDPXAKNOSV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S2/c15-21(18,19)9-10-5-6-16(8-10)14(17)13-7-11-3-1-2-4-12(11)20-13/h1-4,7,10H,5-6,8-9H2,(H2,15,18,19)/t10-/m0/s1.
What are the key properties of [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125154744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).