1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride

C13H27ClN2O2S — CID 120715396

IUPAC1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)CC2CCCCC2)C1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h12-14H,2-11H2,1H3;1H
InChIKeyDUOVONLPWPRWPL-UHFFFAOYSA-N
MW310.89 g/mol
LogP2.00
Rot. Bonds4

About 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride

1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 120715396) has the molecular formula C13H27ClN2O2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
PubChem CID120715396
Molecular FormulaC13H27ClN2O2S
Molecular Weight310.89 g/mol
Exact Mass310.15
IUPAC Name1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)CC2CCCCC2)C1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h12-14H,2-11H2,1H3;1H
InChIKeyDUOVONLPWPRWPL-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
2-[[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727075
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride (CID 120715396) is 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)CC2CCCCC2)C1.Cl.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is DUOVONLPWPRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S.ClH/c1-14-13-8-5-9-15(10-13)18(16,17)11-12-6-3-2-4-7-12;/h12-14H,2-11H2,1H3;1H.
What are the key properties of 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride?
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120715396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).