1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide

C14H20N6O2S — CID 95786953

IUPAC1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C14H20N6O2S/c1-2-19-10-13(17-11-19)23(21,22)18-12-5-3-8-20(9-12)14-15-6-4-7-16-14/h4,6-7,10-12,18H,2-3,5,8-9H2,1H3/t12-/m0/s1
InChIKeyJFJCRBOLTLWSEX-LBPRGKRZSA-N
MW336.42 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide

1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide (PubChem CID 95786953) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide
PubChem CID95786953
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C14H20N6O2S/c1-2-19-10-13(17-11-19)23(21,22)18-12-5-3-8-20(9-12)14-15-6-4-7-16-14/h4,6-7,10-12,18H,2-3,5,8-9H2,1H3/t12-/m0/s1
InChIKeyJFJCRBOLTLWSEX-LBPRGKRZSA-N
XLogP0.64
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide (CID 95786953) is 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide?
The InChIKey is JFJCRBOLTLWSEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-2-19-10-13(17-11-19)23(21,22)18-12-5-3-8-20(9-12)14-15-6-4-7-16-14/h4,6-7,10-12,18H,2-3,5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide?
1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 95786953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).