(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

C16H18N2O3S — CID 97470516

IUPAC(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C16H18N2O3S/c19-16-8-10-18(15(16)11-13-5-4-9-17-12-13)22(20,21)14-6-2-1-3-7-14/h1-7,9,12,15-16,19H,8,10-11H2/t15-,16-/m0/s1
InChIKeyGFMOPBXLJURWRT-HOTGVXAUSA-N
MW318.40 g/mol
LogP1.45
Rot. Bonds4

About (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol

(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 97470516) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID97470516
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C16H18N2O3S/c19-16-8-10-18(15(16)11-13-5-4-9-17-12-13)22(20,21)14-6-2-1-3-7-14/h1-7,9,12,15-16,19H,8,10-11H2/t15-,16-/m0/s1
InChIKeyGFMOPBXLJURWRT-HOTGVXAUSA-N
XLogP1.45
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.45
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
(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470103
(2R,3R)-1-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 124799679
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 90483917
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
(2S,3R)-N,N-dimethyl-1-methylsulfonyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97392082
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol (CID 97470516) is (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@H]1Cc1cccnc1.
What is the InChIKey of (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GFMOPBXLJURWRT-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-16-8-10-18(15(16)11-13-5-4-9-17-12-13)22(20,21)14-6-2-1-3-7-14/h1-7,9,12,15-16,19H,8,10-11H2/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol?
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 318.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97470516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).