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

C15H21ClN4O2S — CID 119980335

IUPACN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-16-13-7-9-18(10-8-13)22(20,21)15-11-17-19(12-15)14-5-3-2-4-6-14;/h2-6,11-13,16H,7-10H2,1H3;1H
InChIKeyGYXJMEJOXYUSCQ-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.67
Rot. Bonds4

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

N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119980335) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119980335
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-16-13-7-9-18(10-8-13)22(20,21)15-11-17-19(12-15)14-5-3-2-4-6-14;/h2-6,11-13,16H,7-10H2,1H3;1H
InChIKeyGYXJMEJOXYUSCQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987915
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
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
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991320
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 51094154
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
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-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 119980335) is N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1.Cl.
What is the InChIKey of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is GYXJMEJOXYUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-16-13-7-9-18(10-8-13)22(20,21)15-11-17-19(12-15)14-5-3-2-4-6-14;/h2-6,11-13,16H,7-10H2,1H3;1H.
What are the key properties of N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).