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

C14H30N4O2S — CID 106055915

IUPAC4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-3-17(2)11-8-16-21(19,20)18-9-6-13(7-10-18)12-15-14-4-5-14/h13-16H,3-12H2,1-2H3
InChIKeyJUQLVBSYNIACNW-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.24
Rot. Bonds9

About 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide (PubChem CID 106055915) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
PubChem CID106055915
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
SMILESCCN(C)CCNS(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-3-17(2)11-8-16-21(19,20)18-9-6-13(7-10-18)12-15-14-4-5-14/h13-16H,3-12H2,1-2H3
InChIKeyJUQLVBSYNIACNW-UHFFFAOYSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106028741
4-(ethylamino)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114813693
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
4-tert-butyl-N-[2-(cyclopropylamino)ethyl]piperidine-1-sulfonamide
CID 86784586
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide (CID 106055915) is 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide is CCN(C)CCNS(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide?
The InChIKey is JUQLVBSYNIACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-3-17(2)11-8-16-21(19,20)18-9-6-13(7-10-18)12-15-14-4-5-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106055915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).