N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride

C19H25ClN2O2S — CID 119987587

IUPACN-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N2O2S.ClH/c22-24(23,19-8-7-16-3-1-2-4-17(16)13-19)21-11-9-18(10-12-21)20-14-15-5-6-15;/h1-4,7-8,13,15,18,20H,5-6,9-12,14H2;1H
InChIKeyVZBOXWQSZWVGIT-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.41
Rot. Bonds5

About N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119987587) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID119987587
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N2O2S.ClH/c22-24(23,19-8-7-16-3-1-2-4-17(16)13-19)21-11-9-18(10-12-21)20-14-15-5-6-15;/h1-4,7-8,13,15,18,20H,5-6,9-12,14H2;1H
InChIKeyVZBOXWQSZWVGIT-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
N-(cyclopropylmethyl)-1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-amine
CID 119987730
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120711447
methyl 4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119987530
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride (CID 119987587) is N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride is Cl.O=S(=O)(c1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is VZBOXWQSZWVGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c22-24(23,19-8-7-16-3-1-2-4-17(16)13-19)21-11-9-18(10-12-21)20-14-15-5-6-15;/h1-4,7-8,13,15,18,20H,5-6,9-12,14H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).