(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol

C11H21NO3S — CID 64723774

IUPAC(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CC[C@H](O)C1
InChIInChI=1S/C11H21NO3S/c13-11-6-7-12(8-11)16(14,15)9-10-4-2-1-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyIGXMEYUMNHFMMF-NSHDSACASA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds3

About (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol

(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol (PubChem CID 64723774) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol
PubChem CID64723774
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(CC1CCCCC1)N1CC[C@H](O)C1
InChIInChI=1S/C11H21NO3S/c13-11-6-7-12(8-11)16(14,15)9-10-4-2-1-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1
InChIKeyIGXMEYUMNHFMMF-NSHDSACASA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol (CID 64723774) is (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(CC1CCCCC1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is IGXMEYUMNHFMMF-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-6-7-12(8-11)16(14,15)9-10-4-2-1-3-5-10/h10-11,13H,1-9H2/t11-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol?
(3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 64723774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).