[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol

C12H24N2O3S — CID 79621983

IUPAC[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CCNC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-6-2-3-11(8-14)7-12(10-15)4-5-13-9-12/h11,13,15H,2-10H2,1H3
InChIKeyVPXIPPHZNBFDQB-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.02
Rot. Bonds4

About [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 79621983) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID79621983
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CC2(CO)CCNC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)14-6-2-3-11(8-14)7-12(10-15)4-5-13-9-12/h11,13,15H,2-10H2,1H3
InChIKeyVPXIPPHZNBFDQB-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
3-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79611219
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-propylazepane
CID 79619580
3-[(1-methylsulfonylpiperidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79612923
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 79621983) is [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol is CS(=O)(=O)N1CCCC(CC2(CO)CCNC2)C1.
What is the InChIKey of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is VPXIPPHZNBFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)14-6-2-3-11(8-14)7-12(10-15)4-5-13-9-12/h11,13,15H,2-10H2,1H3.
What are the key properties of [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 276.40 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 79621983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).