4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide

C11H20N4O3S — CID 106410697

IUPAC4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCCNC2CC2)no1
InChIInChI=1S/C11H20N4O3S/c1-9-14-11(15-18-9)8-13-19(16,17)7-3-2-6-12-10-4-5-10/h10,12-13H,2-8H2,1H3
InChIKeyKCGSHOLMBLFRMS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.33
Rot. Bonds9

About 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide (PubChem CID 106410697) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
PubChem CID106410697
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)CCCCNC2CC2)no1
InChIInChI=1S/C11H20N4O3S/c1-9-14-11(15-18-9)8-13-19(16,17)7-3-2-6-12-10-4-5-10/h10,12-13H,2-8H2,1H3
InChIKeyKCGSHOLMBLFRMS-UHFFFAOYSA-N
XLogP0.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-tert-butyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103698883
3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
CID 81174320
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide (CID 106410697) is 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide is Cc1nc(CNS(=O)(=O)CCCCNC2CC2)no1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide?
The InChIKey is KCGSHOLMBLFRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9-14-11(15-18-9)8-13-19(16,17)7-3-2-6-12-10-4-5-10/h10,12-13H,2-8H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).