2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide

C13H27N3O3S — CID 61274117

IUPAC2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-10(3)12(14)13(17)15-11-6-8-16(9-7-11)20(18,19)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyUTKVHHQIPHUIIF-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide

2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide (PubChem CID 61274117) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
PubChem CID61274117
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-10(3)12(14)13(17)15-11-6-8-16(9-7-11)20(18,19)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyUTKVHHQIPHUIIF-UHFFFAOYSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
2-amino-3-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699508
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 120874179
(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide (CID 61274117) is 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide?
The InChIKey is UTKVHHQIPHUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-10(3)12(14)13(17)15-11-6-8-16(9-7-11)20(18,19)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide?
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide has a molecular weight of 305.44 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide is sourced from PubChem (CID 61274117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).