N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide

C15H32N2O2S — CID 100703601

IUPACN-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(C[C@H](C)CC(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-6-17(20(5,18)19)15-7-9-16(10-8-15)12-14(4)11-13(2)3/h13-15H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyNKGIKXWXBQFWDQ-CQSZACIVSA-N
MW304.50 g/mol
LogP2.41
Rot. Bonds7

About N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide

N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide (PubChem CID 100703601) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide
PubChem CID100703601
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(C[C@H](C)CC(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-6-17(20(5,18)19)15-7-9-16(10-8-15)12-14(4)11-13(2)3/h13-15H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyNKGIKXWXBQFWDQ-CQSZACIVSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide (CID 100703601) is N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide is CCN(C1CCN(C[C@H](C)CC(C)C)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide?
The InChIKey is NKGIKXWXBQFWDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-17(20(5,18)19)15-7-9-16(10-8-15)12-14(4)11-13(2)3/h13-15H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide?
N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2,4-dimethylpentyl]piperidin-4-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 100703601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).