[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol

C9H17NO3S — CID 64987457

IUPAC[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CC1CC1)N1CCC(CO)C1
InChIInChI=1S/C9H17NO3S/c11-6-9-3-4-10(5-9)14(12,13)7-8-1-2-8/h8-9,11H,1-7H2
InChIKeyTYANQUDZXMKOAR-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.04
Rot. Bonds4

About [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol

[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 64987457) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID64987457
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CC1CC1)N1CCC(CO)C1
InChIInChI=1S/C9H17NO3S/c11-6-9-3-4-10(5-9)14(12,13)7-8-1-2-8/h8-9,11H,1-7H2
InChIKeyTYANQUDZXMKOAR-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
3-chloro-1-(cyclopropylmethylsulfonyl)-4-methylpiperidine
CID 102962630
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
[(3R)-1-[[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methylsulfonyl]pyrrolidin-3-yl]methanol
CID 58293101
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol (CID 64987457) is [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(CC1CC1)N1CCC(CO)C1.
What is the InChIKey of [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is TYANQUDZXMKOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-6-9-3-4-10(5-9)14(12,13)7-8-1-2-8/h8-9,11H,1-7H2.
What are the key properties of [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 219.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64987457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).