1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine

C13H28N2O2S — CID 106721523

IUPAC1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O2S/c1-4-7-14-13-6-5-8-15(11-13)9-10-18(16,17)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySWYRFRYJEOUDSG-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds7

About 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine

1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine (PubChem CID 106721523) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
PubChem CID106721523
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O2S/c1-4-7-14-13-6-5-8-15(11-13)9-10-18(16,17)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySWYRFRYJEOUDSG-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine 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

1-(2-aminoethyl)-N-propylpiperidin-3-amine
CID 83991380
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
CID 43314968
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
1-(2-propan-2-ylsulfonylethyl)-3-propyl-1,4-diazepane
CID 106733340
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200
1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
CID 104761908
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
CID 107298390
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 119920149

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine (CID 106721523) is 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine is CCCNC1CCCN(CCS(=O)(=O)C(C)C)C1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine?
The InChIKey is SWYRFRYJEOUDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-7-14-13-6-5-8-15(11-13)9-10-18(16,17)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine?
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 106721523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).