N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

C18H25ClN4O2S — CID 119987915

IUPACN-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O2S.ClH/c23-25(24,18-13-20-22(14-18)17-4-2-1-3-5-17)21-10-8-16(9-11-21)19-12-15-6-7-15;/h1-5,13-16,19H,6-12H2;1H
InChIKeyPUNGWAKQNVACCX-UHFFFAOYSA-N
MW396.94 g/mol
LogP2.45
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119987915) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119987915
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC NameN-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H24N4O2S.ClH/c23-25(24,18-13-20-22(14-18)17-4-2-1-3-5-17)21-10-8-16(9-11-21)19-12-15-6-7-15;/h1-5,13-16,19H,6-12H2;1H
InChIKeyPUNGWAKQNVACCX-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120711447
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
N-(cyclopropylmethyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine
CID 115307191
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 119987915) is N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is Cl.O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is PUNGWAKQNVACCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.ClH/c23-25(24,18-13-20-22(14-18)17-4-2-1-3-5-17)21-10-8-16(9-11-21)19-12-15-6-7-15;/h1-5,13-16,19H,6-12H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).