2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide

C13H28N4O2S — CID 106094076

IUPAC2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
SMILESCCN(CCNS(=O)(=O)N1CCCCC1CN)C1CC1
InChIInChI=1S/C13H28N4O2S/c1-2-16(12-6-7-12)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14/h12-13,15H,2-11,14H2,1H3
InChIKeyCIZVZRMHCGUODU-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.12
Rot. Bonds8

About 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide (PubChem CID 106094076) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
PubChem CID106094076
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
SMILESCCN(CCNS(=O)(=O)N1CCCCC1CN)C1CC1
InChIInChI=1S/C13H28N4O2S/c1-2-16(12-6-7-12)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14/h12-13,15H,2-11,14H2,1H3
InChIKeyCIZVZRMHCGUODU-UHFFFAOYSA-N
XLogP0.12
TPSA78.67 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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide (CID 106094076) is 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide is CCN(CCNS(=O)(=O)N1CCCCC1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide?
The InChIKey is CIZVZRMHCGUODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-2-16(12-6-7-12)10-8-15-20(18,19)17-9-4-3-5-13(17)11-14/h12-13,15H,2-11,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106094076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).