[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C16H27ClN2O2S — CID 119963645

IUPAC[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-3-13(2)15-4-6-16(7-5-15)21(19,20)18-10-8-14(12-17)9-11-18;/h4-7,13-14H,3,8-12,17H2,1-2H3;1H
InChIKeyNNRXLRCMEKLAHZ-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.98
Rot. Bonds5

About [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119963645) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119963645
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cc1.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-3-13(2)15-4-6-16(7-5-15)21(19,20)18-10-8-14(12-17)9-11-18;/h4-7,13-14H,3,8-12,17H2,1-2H3;1H
InChIKeyNNRXLRCMEKLAHZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 9288969
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120586981

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119963645) is [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is CCC(C)c1ccc(S(=O)(=O)N2CCC(CN)CC2)cc1.Cl.
What is the InChIKey of [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is NNRXLRCMEKLAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-3-13(2)15-4-6-16(7-5-15)21(19,20)18-10-8-14(12-17)9-11-18;/h4-7,13-14H,3,8-12,17H2,1-2H3;1H.
What are the key properties of [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119963645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).