2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide

C13H28N4O2S — CID 106032299

IUPAC2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
SMILESCN(C)CCNS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C13H28N4O2S/c1-16(2)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14-12-6-7-12/h12-15H,3-11H2,1-2H3
InChIKeyXWXRUGQMZPIGMA-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.01
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide

2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 106032299) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
PubChem CID106032299
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
SMILESCN(C)CCNS(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C13H28N4O2S/c1-16(2)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14-12-6-7-12/h12-15H,3-11H2,1-2H3
InChIKeyXWXRUGQMZPIGMA-UHFFFAOYSA-N
XLogP-0.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]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

2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
CID 106088999
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide (CID 106032299) is 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide is CN(C)CCNS(=O)(=O)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is XWXRUGQMZPIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-16(2)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14-12-6-7-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide?
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106032299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).