N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide

C13H22N4O4S2 — CID 71806315

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C13H22N4O4S2/c1-16-9-13(14-10-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3
InChIKeySKPQPUDFZOYKLE-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.10
Rot. Bonds6

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 71806315) has the molecular formula C13H22N4O4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID71806315
Molecular FormulaC13H22N4O4S2
Molecular Weight362.48 g/mol
Exact Mass362.11
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1
InChIInChI=1S/C13H22N4O4S2/c1-16-9-13(14-10-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3
InChIKeySKPQPUDFZOYKLE-UHFFFAOYSA-N
XLogP-0.10
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-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 N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 71806315) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is SKPQPUDFZOYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S2/c1-16-9-13(14-10-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3.
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71806315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).