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

C14H31N3O2S — CID 114803113

IUPACN-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
SMILESCCCNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-6-9-15-12(2)13-8-7-10-17(11-13)20(18,19)16-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyXJBJGCWPRDCGFN-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds6

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

N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide (PubChem CID 114803113) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
PubChem CID114803113
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
SMILESCCCNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H31N3O2S/c1-6-9-15-12(2)13-8-7-10-17(11-13)20(18,19)16-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyXJBJGCWPRDCGFN-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide (CID 114803113) is N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide is CCCNC(C)C1CCCN(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
The InChIKey is XJBJGCWPRDCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-6-9-15-12(2)13-8-7-10-17(11-13)20(18,19)16-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide?
N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114803113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).