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

C11H22N2O3S — CID 79622641

IUPAC[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CN2CC(CO)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-4-2-3-10(8-13)5-12-6-11(7-12)9-14/h10-11,14H,2-9H2,1H3
InChIKeyIBSZXWKWSSLQPM-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.42
Rot. Bonds4

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

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol (PubChem CID 79622641) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
PubChem CID79622641
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
SMILESCS(=O)(=O)N1CCCC(CN2CC(CO)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)13-4-2-3-10(8-13)5-12-6-11(7-12)9-14/h10-11,14H,2-9H2,1H3
InChIKeyIBSZXWKWSSLQPM-UHFFFAOYSA-N
XLogP-0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
CID 114779947
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
3-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838284
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
1-(azetidin-3-yl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79612100

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol?
The IUPAC name of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol (CID 79622641) is [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol is CS(=O)(=O)N1CCCC(CN2CC(CO)C2)C1.
What is the InChIKey of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol?
The InChIKey is IBSZXWKWSSLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)13-4-2-3-10(8-13)5-12-6-11(7-12)9-14/h10-11,14H,2-9H2,1H3.
What are the key properties of [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol?
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol has a molecular weight of 262.37 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol is sourced from PubChem (CID 79622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).