2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide

C13H27N3O3S — CID 60841652

IUPAC2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CNC(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-9-20(18,19)16-7-5-12(6-8-16)15-13(17)10-14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKZGKWQPEAWAJIG-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.30
Rot. Bonds7

About 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide

2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide (PubChem CID 60841652) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
PubChem CID60841652
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CNC(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-4-9-20(18,19)16-7-5-12(6-8-16)15-13(17)10-14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKZGKWQPEAWAJIG-UHFFFAOYSA-N
XLogP0.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
3-(aminomethyl)-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 81071434
2-bromo-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 62854305
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide (CID 60841652) is 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide is CCCS(=O)(=O)N1CCC(NC(=O)CNC(C)C)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is KZGKWQPEAWAJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-4-9-20(18,19)16-7-5-12(6-8-16)15-13(17)10-14-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 305.44 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).