[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol

C12H23NO3S — CID 54947577

IUPAC[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1CO
InChIInChI=1S/C12H23NO3S/c14-9-12-7-4-8-13(12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2
InChIKeyNEXUBPHQHIUFSH-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds4

About [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol

[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 54947577) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID54947577
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCC1CO
InChIInChI=1S/C12H23NO3S/c14-9-12-7-4-8-13(12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2
InChIKeyNEXUBPHQHIUFSH-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol (CID 54947577) is [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CC1CCCCC1)N1CCCC1CO.
What is the InChIKey of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is NEXUBPHQHIUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-9-12-7-4-8-13(12)17(15,16)10-11-5-2-1-3-6-11/h11-12,14H,1-10H2.
What are the key properties of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol?
[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 54947577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).