N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide

C13H27N3O2S — CID 114803111

IUPACN-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
SMILESCCCNC(C)C1CCCN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-3-8-14-11(2)12-5-4-9-16(10-12)19(17,18)15-13-6-7-13/h11-15H,3-10H2,1-2H3
InChIKeyNEWOXAPUBARKIG-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.08
Rot. Bonds7

About N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide

N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 114803111) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
PubChem CID114803111
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC NameN-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
SMILESCCCNC(C)C1CCCN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C13H27N3O2S/c1-3-8-14-11(2)12-5-4-9-16(10-12)19(17,18)15-13-6-7-13/h11-15H,3-10H2,1-2H3
InChIKeyNEWOXAPUBARKIG-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803113
N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63855058
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
N-[1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63854706
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-[1-(1-cyclohexylpiperidin-3-yl)ethyl]propan-1-amine
CID 63854641
3-[(propan-2-ylamino)methyl]-N-(thian-4-yl)piperidine-1-sulfonamide
CID 106084500
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide (CID 114803111) is N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide is CCCNC(C)C1CCCN(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is NEWOXAPUBARKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-3-8-14-11(2)12-5-4-9-16(10-12)19(17,18)15-13-6-7-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114803111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).