1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H30N2O3S — CID 115653928

IUPAC1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCS(=O)(=O)CC(C)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3S/c1-6-21(19,20)11-12(2)16-13-7-9-17(10-8-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyCFCPNLZEARIEMP-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.44
Rot. Bonds5

About 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 115653928) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID115653928
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCS(=O)(=O)CC(C)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3S/c1-6-21(19,20)11-12(2)16-13-7-9-17(10-8-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyCFCPNLZEARIEMP-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-Methanesulfonyl-piperidin-4-yl)-2,2-dimethyl-propionamide
CID 3218771
N-(1-propan-2-ylsulfonylpiperidin-4-yl)propanamide
CID 44313539
N-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide
CID 44313540
N-(1-propanoylpiperidin-4-yl)propane-2-sulfonamide
CID 44313610
N-(1-acetylpiperidin-4-yl)propane-2-sulfonamide
CID 44313611
4-Methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one 1,1-dioxide
CID 86820577
3-[2-(2-Methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 42999334
2-[4-[(2-Propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
CID 47378674
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-methylsulfonyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64018431
2-methyl-2-methylsulfonyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64018432

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 115653928) is 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCS(=O)(=O)CC(C)NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CFCPNLZEARIEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-6-21(19,20)11-12(2)16-13-7-9-17(10-8-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 318.48 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 115653928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).