[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

C10H21ClN2O2S — CID 119998739

IUPAC[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C10H20N2O2S.ClH/c11-7-9-3-5-12(6-4-9)15(13,14)8-10-1-2-10;/h9-10H,1-8,11H2;1H
InChIKeyLDBRWQBHGBWHJZ-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.82
Rot. Bonds4

About [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride

[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119998739) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID119998739
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)CC2CC2)CC1
InChIInChI=1S/C10H20N2O2S.ClH/c11-7-9-3-5-12(6-4-9)15(13,14)8-10-1-2-10;/h9-10H,1-8,11H2;1H
InChIKeyLDBRWQBHGBWHJZ-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
4-tert-butyl-1-(cyclopropylmethylsulfonyl)piperidine
CID 170685638
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998
(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
CID 119963888
1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one
CID 158540238
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
CID 64989827

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride (CID 119998739) is [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is LDBRWQBHGBWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S.ClH/c11-7-9-3-5-12(6-4-9)15(13,14)8-10-1-2-10;/h9-10H,1-8,11H2;1H.
What are the key properties of [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119998739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).