4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

C17H23N5O2S — CID 134145904

IUPAC4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESNS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H23N5O2S/c18-25(23,24)21-9-6-14-7-10-22(11-8-14)17-12-16(19-13-20-17)15-4-2-1-3-5-15/h1-5,12-14,21H,6-11H2,(H2,18,23,24)
InChIKeyHIAKBKWNJHBLQM-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.54
Rot. Bonds6

About 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 134145904) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
PubChem CID134145904
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESNS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H23N5O2S/c18-25(23,24)21-9-6-14-7-10-22(11-8-14)17-12-16(19-13-20-17)15-4-2-1-3-5-15/h1-5,12-14,21H,6-11H2,(H2,18,23,24)
InChIKeyHIAKBKWNJHBLQM-UHFFFAOYSA-N
XLogP1.54
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 134148683
4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 134149174
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (CID 134145904) is 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is NS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is HIAKBKWNJHBLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c18-25(23,24)21-9-6-14-7-10-22(11-8-14)17-12-16(19-13-20-17)15-4-2-1-3-5-15/h1-5,12-14,21H,6-11H2,(H2,18,23,24).
What are the key properties of 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 361.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 134145904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).