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

C13H22N4O3S — CID 106424009

IUPAC3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccno1)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C13H22N4O3S/c18-21(19,16-9-13-5-6-15-20-13)17-7-1-2-11(10-17)8-14-12-3-4-12/h5-6,11-12,14,16H,1-4,7-10H2
InChIKeyYGVNECHNUNDRLG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.47
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide

3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106424009) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
PubChem CID106424009
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccno1)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C13H22N4O3S/c18-21(19,16-9-13-5-6-15-20-13)17-7-1-2-11(10-17)8-14-12-3-4-12/h5-6,11-12,14,16H,1-4,7-10H2
InChIKeyYGVNECHNUNDRLG-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

Analyze 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide 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

4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63847429
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
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 114185928
3-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106054051
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide (CID 106424009) is 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide is O=S(=O)(NCc1ccno1)N1CCCC(CNC2CC2)C1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is YGVNECHNUNDRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c18-21(19,16-9-13-5-6-15-20-13)17-7-1-2-11(10-17)8-14-12-3-4-12/h5-6,11-12,14,16H,1-4,7-10H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide?
3-[(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 3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106424009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).