N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

C12H23N5O3S — CID 119667308

IUPACN-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCCCC(CN)NC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H23N5O3S/c1-3-4-5-10(6-13)16-11(18)7-15-21(19,20)12-8-17(2)9-14-12/h8-10,15H,3-7,13H2,1-2H3,(H,16,18)
InChIKeyFHJFALJYZUVKLH-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.67
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide

N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (PubChem CID 119667308) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
PubChem CID119667308
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC NameN-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
SMILESCCCCC(CN)NC(=O)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H23N5O3S/c1-3-4-5-10(6-13)16-11(18)7-15-21(19,20)12-8-17(2)9-14-12/h8-10,15H,3-7,13H2,1-2H3,(H,16,18)
InChIKeyFHJFALJYZUVKLH-UHFFFAOYSA-N
XLogP-0.67
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2R)-1-aminohexan-2-yl]-1-methylimidazole-4-sulfonamide
CID 97225498
N-[2-(ethylamino)ethyl]-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 119507705
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 62666691
N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119668744
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
N-(2-aminobutyl)-1-methylimidazole-4-sulfonamide
CID 63730763
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 71879584
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide (CID 119667308) is N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is CCCCC(CN)NC(=O)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
The InChIKey is FHJFALJYZUVKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-3-4-5-10(6-13)16-11(18)7-15-21(19,20)12-8-17(2)9-14-12/h8-10,15H,3-7,13H2,1-2H3,(H,16,18).
What are the key properties of N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide?
N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide has a molecular weight of 317.42 g/mol, XLogP of -0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 119667308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).