4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide

C13H22N4O3S — CID 106423891

IUPAC4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccno1)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H22N4O3S/c18-21(19,16-10-13-3-6-15-20-13)17-7-4-11(5-8-17)9-14-12-1-2-12/h3,6,11-12,14,16H,1-2,4-5,7-10H2
InChIKeyAWEFKRPWEFZNDS-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.47
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106423891) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
PubChem CID106423891
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccno1)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H22N4O3S/c18-21(19,16-10-13-3-6-15-20-13)17-7-4-11(5-8-17)9-14-12-1-2-12/h3,6,11-12,14,16H,1-2,4-5,7-10H2
InChIKeyAWEFKRPWEFZNDS-UHFFFAOYSA-N
XLogP0.47
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106424009
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106423900
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
2-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423550
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63847429
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 114185928
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide (CID 106423891) is 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide is O=S(=O)(NCc1ccno1)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is AWEFKRPWEFZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c18-21(19,16-10-13-3-6-15-20-13)17-7-4-11(5-8-17)9-14-12-1-2-12/h3,6,11-12,14,16H,1-2,4-5,7-10H2.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106423891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).