[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine

C12H24N2O3S — CID 119984742

IUPAC[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(S(=O)(=O)CC2CCOC2)C1CN
InChIInChI=1S/C12H24N2O3S/c1-10-3-2-5-14(12(10)7-13)18(15,16)9-11-4-6-17-8-11/h10-12H,2-9,13H2,1H3
InChIKeyIXQCBUMDDYVIPH-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds4

About [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine

[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 119984742) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
PubChem CID119984742
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(S(=O)(=O)CC2CCOC2)C1CN
InChIInChI=1S/C12H24N2O3S/c1-10-3-2-5-14(12(10)7-13)18(15,16)9-11-4-6-17-8-11/h10-12H,2-9,13H2,1H3
InChIKeyIXQCBUMDDYVIPH-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
2-methyl-1-[[(2R)-1-[[(3R)-oxolan-3-yl]methylsulfonyl]pyrrolidin-2-yl]methyl]imidazole
CID 95780361
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 124691768
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 114810844
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-2-carboxylic acid
CID 107070042
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine (CID 119984742) is [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine is CC1CCCN(S(=O)(=O)CC2CCOC2)C1CN.
What is the InChIKey of [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is IXQCBUMDDYVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-3-2-5-14(12(10)7-13)18(15,16)9-11-4-6-17-8-11/h10-12H,2-9,13H2,1H3.
What are the key properties of [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine?
[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 119984742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).