1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride

C9H19ClN2O2S — CID 119998731

IUPAC1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H18N2O2S.ClH/c10-9-2-1-5-11(6-9)14(12,13)7-8-3-4-8;/h8-9H,1-7,10H2;1H
InChIKeyZULFNMFTIVDNAP-UHFFFAOYSA-N
MW254.78 g/mol
LogP0.57
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride

1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride (PubChem CID 119998731) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
PubChem CID119998731
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C9H18N2O2S.ClH/c10-9-2-1-5-11(6-9)14(12,13)7-8-3-4-8;/h8-9H,1-7,10H2;1H
InChIKeyZULFNMFTIVDNAP-UHFFFAOYSA-N
XLogP0.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
CID 64987766
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride (CID 119998731) is 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The InChIKey is ZULFNMFTIVDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.ClH/c10-9-2-1-5-11(6-9)14(12,13)7-8-3-4-8;/h8-9H,1-7,10H2;1H.
What are the key properties of 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride?
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride has a molecular weight of 254.78 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).