N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride

C19H25ClN4O2S — CID 120711447

IUPACN-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N4O2S.ClH/c24-26(25,23-10-8-17(9-11-23)20-12-15-6-7-15)18-13-21-19(22-14-18)16-4-2-1-3-5-16;/h1-5,13-15,17,20H,6-12H2;1H
InChIKeyGPXIXYDLCMDAOR-UHFFFAOYSA-N
MW408.96 g/mol
LogP2.72
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 120711447) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID120711447
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC NameN-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H24N4O2S.ClH/c24-26(25,23-10-8-17(9-11-23)20-12-15-6-7-15)18-13-21-19(22-14-18)16-4-2-1-3-5-16;/h1-5,13-15,17,20H,6-12H2;1H
InChIKeyGPXIXYDLCMDAOR-UHFFFAOYSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 120711447) is N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride is Cl.O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is GPXIXYDLCMDAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.ClH/c24-26(25,23-10-8-17(9-11-23)20-12-15-6-7-15)18-13-21-19(22-14-18)16-4-2-1-3-5-16;/h1-5,13-15,17,20H,6-12H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 408.96 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).