N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

C11H22ClN3O3S — CID 119993044

IUPACN-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-4-5-6-10(7-12)14-18(15,16)11-8(2)13-17-9(11)3;/h10,14H,4-7,12H2,1-3H3;1H
InChIKeyOPGBFKVKTMCNSK-UHFFFAOYSA-N
MW311.84 g/mol
LogP1.51
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 119993044) has the molecular formula C11H22ClN3O3S and a molecular weight of 311.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID119993044
Molecular FormulaC11H22ClN3O3S
Molecular Weight311.84 g/mol
Exact Mass311.11
IUPAC NameN-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C11H21N3O3S.ClH/c1-4-5-6-10(7-12)14-18(15,16)11-8(2)13-17-9(11)3;/h10,14H,4-7,12H2,1-3H3;1H
InChIKeyOPGBFKVKTMCNSK-UHFFFAOYSA-N
XLogP1.51
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride 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-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
N-(1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5005523
N-(1-cyanobutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 62645833
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106737884
N-(1-hydroxy-4-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114211604
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(3-butoxypropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 32937382
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
(2S,3S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-3-methylpentanamide
CID 97311830

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 119993044) is N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1c(C)noc1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is OPGBFKVKTMCNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S.ClH/c1-4-5-6-10(7-12)14-18(15,16)11-8(2)13-17-9(11)3;/h10,14H,4-7,12H2,1-3H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).