N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C9H17N3O3S — CID 65193475

IUPACN-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCCC(CN)NS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C9H17N3O3S/c1-3-8(5-10)12-16(13,14)6-9-4-7(2)15-11-9/h4,8,12H,3,5-6,10H2,1-2H3
InChIKeyHFMNSBWSBQUPGR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.14
Rot. Bonds6

About N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 65193475) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID65193475
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCCC(CN)NS(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C9H17N3O3S/c1-3-8(5-10)12-16(13,14)6-9-4-7(2)15-11-9/h4,8,12H,3,5-6,10H2,1-2H3
InChIKeyHFMNSBWSBQUPGR-UHFFFAOYSA-N
XLogP0.14
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide 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

5-Methyl-3-isoxazolemethanesulfonyl chloride
CID 43423546
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 28788252
N-(cyclohexylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137969
N-cyclohexyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137970
3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide
CID 6624547
(5-Methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 28788245
(3-Methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
CID 56828033
(5-Ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride
CID 145913568
N-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 45891932
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 47959057
N-cyclopentyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 56822256
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979583

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 65193475) is N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is CCC(CN)NS(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is HFMNSBWSBQUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-3-8(5-10)12-16(13,14)6-9-4-7(2)15-11-9/h4,8,12H,3,5-6,10H2,1-2H3.
What are the key properties of N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 65193475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).