N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

C14H24N4O2S — CID 79369875

IUPACN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-7-5-12(6-8-18)9-15-13-3-4-13/h10-13,15H,2-9H2,1H3
InChIKeyPJRLPOQGVGSJMA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.06
Rot. Bonds6

About N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (PubChem CID 79369875) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
PubChem CID79369875
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CNC3CC3)CC2)c1
InChIInChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-7-5-12(6-8-18)9-15-13-3-4-13/h10-13,15H,2-9H2,1H3
InChIKeyPJRLPOQGVGSJMA-UHFFFAOYSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990565
3-[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736699
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 93068990
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959743
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917728
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (CID 79369875) is N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is CCn1cnc(S(=O)(=O)N2CCC(CNC3CC3)CC2)c1.
What is the InChIKey of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is PJRLPOQGVGSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-17-10-14(16-11-17)21(19,20)18-7-5-12(6-8-18)9-15-13-3-4-13/h10-13,15H,2-9H2,1H3.
What are the key properties of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 312.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79369875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).