(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

C15H17NO3S2 — CID 97470418

IUPAC(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14-/m0/s1
InChIKeyRBSSLZCQFJEMTD-KBPBESRZSA-N
MW323.44 g/mol
LogP2.11
Rot. Bonds4

About (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 97470418) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
PubChem CID97470418
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14-/m0/s1
InChIKeyRBSSLZCQFJEMTD-KBPBESRZSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-benzyl-1-(4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470421
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882
N-benzyl-N-methyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341656
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
1-phenyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)ethanol
CID 71911232
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide
CID 22026025
(3aR,6aS)-1-prop-2-enyl-4-thiophen-2-ylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386426

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (CID 97470418) is (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is RBSSLZCQFJEMTD-KBPBESRZSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 323.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 97470418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).