3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide

C10H17N3O3S — CID 81174320

IUPAC3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)NCc1ccon1
InChIInChI=1S/C10H17N3O3S/c14-17(15,7-1-5-11-9-2-3-9)12-8-10-4-6-16-13-10/h4,6,9,11-12H,1-3,5,7-8H2
InChIKeyMRYBLNWWDHJSMX-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.24
Rot. Bonds8

About 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide (PubChem CID 81174320) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
PubChem CID81174320
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)NCc1ccon1
InChIInChI=1S/C10H17N3O3S/c14-17(15,7-1-5-11-9-2-3-9)12-8-10-4-6-16-13-10/h4,6,9,11-12H,1-3,5,7-8H2
InChIKeyMRYBLNWWDHJSMX-UHFFFAOYSA-N
XLogP0.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118
3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 106016093
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothian-4-amine
CID 81171423
4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
N-(1,2-oxazol-3-ylmethyl)thian-4-amine
CID 79496113

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide (CID 81174320) is 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)NCc1ccon1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is MRYBLNWWDHJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c14-17(15,7-1-5-11-9-2-3-9)12-8-10-4-6-16-13-10/h4,6,9,11-12H,1-3,5,7-8H2.
What are the key properties of 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 81174320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).