N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C10H13N3O4S — CID 82345198

IUPACN-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H13N3O4S/c1-6(11)5-12-18(15,16)7-2-3-8-9(4-7)17-10(14)13-8/h2-4,6,12H,5,11H2,1H3,(H,13,14)
InChIKeyNATPMVIEHMXZAN-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.25
Rot. Bonds4

About N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 82345198) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID82345198
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H13N3O4S/c1-6(11)5-12-18(15,16)7-2-3-8-9(4-7)17-10(14)13-8/h2-4,6,12H,5,11H2,1H3,(H,13,14)
InChIKeyNATPMVIEHMXZAN-UHFFFAOYSA-N
XLogP-0.25
TPSA118.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 126815306
6-(3-aminobutyl)-3H-1,3-benzoxazol-2-one
CID 82492156
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648158

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 82345198) is N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is CC(N)CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is NATPMVIEHMXZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-6(11)5-12-18(15,16)7-2-3-8-9(4-7)17-10(14)13-8/h2-4,6,12H,5,11H2,1H3,(H,13,14).
What are the key properties of N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 271.30 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 82345198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).