N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide

C15H31N3O2S — CID 118527460

IUPACN-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC1CCCN1)C1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-2-3-13-21(19,20)18(15-6-10-16-11-7-15)12-8-14-5-4-9-17-14/h14-17H,2-13H2,1H3
InChIKeyMXKSBMSGHIQFGZ-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.31
Rot. Bonds8

About N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide

N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide (PubChem CID 118527460) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
PubChem CID118527460
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC1CCCN1)C1CCNCC1
InChIInChI=1S/C15H31N3O2S/c1-2-3-13-21(19,20)18(15-6-10-16-11-7-15)12-8-14-5-4-9-17-14/h14-17H,2-13H2,1H3
InChIKeyMXKSBMSGHIQFGZ-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-cyclopropyl-N-(piperidin-2-ylmethyl)butane-1-sulfonamide
CID 106630038
N-cyclopropyl-N-ethyl-2-piperidin-2-ylethanesulfonamide
CID 54972623
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
N-methyl-2-piperidin-2-yl-N-propylethanesulfonamide
CID 60863663
(2S)-2-hexylpyrrolidine
CID 7047826
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 82177219

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide (CID 118527460) is N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCC1CCCN1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide?
The InChIKey is MXKSBMSGHIQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-2-3-13-21(19,20)18(15-6-10-16-11-7-15)12-8-14-5-4-9-17-14/h14-17H,2-13H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide?
N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 118527460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).