N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

C15H27ClN4O2S — CID 119987891

IUPACN-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C15H26N4O2S.ClH/c1-11-15(12(2)18(3)17-11)22(20,21)19-8-6-14(7-9-19)16-10-13-4-5-13;/h13-14,16H,4-10H2,1-3H3;1H
InChIKeyNGBQKYMJBMAGFI-UHFFFAOYSA-N
MW362.93 g/mol
LogP1.61
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119987891) has the molecular formula C15H27ClN4O2S and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119987891
Molecular FormulaC15H27ClN4O2S
Molecular Weight362.93 g/mol
Exact Mass362.15
IUPAC NameN-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C15H26N4O2S.ClH/c1-11-15(12(2)18(3)17-11)22(20,21)19-8-6-14(7-9-19)16-10-13-4-5-13;/h13-14,16H,4-10H2,1-3H3;1H
InChIKeyNGBQKYMJBMAGFI-UHFFFAOYSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride (CID 119987891) is N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is NGBQKYMJBMAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S.ClH/c1-11-15(12(2)18(3)17-11)22(20,21)19-8-6-14(7-9-19)16-10-13-4-5-13;/h13-14,16H,4-10H2,1-3H3;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119987891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).