N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine

C13H28N2O2S — CID 86811497

IUPACN-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCS(=O)(=O)CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)10-12(4)14-13-6-8-15(9-7-13)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyIQCDTMJKXVMABC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine

N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 86811497) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
PubChem CID86811497
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
SMILESCCS(=O)(=O)CC(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-5-18(16,17)10-12(4)14-13-6-8-15(9-7-13)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyIQCDTMJKXVMABC-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

1-(Propane-2-sulfonyl)piperidin-4-amine hydrochloride
CID 21090391
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
4-(Piperidin-4-YL)thiomorpholine 1,1-dioxide dihydrochloride
CID 71758395
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
N-(piperidin-4-yl)ethane-1-sulfonamide hydrochloride
CID 43810658
N-(piperidin-4-yl)propane-1-sulfonamide hydrochloride
CID 43810661

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine (CID 86811497) is N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine is CCS(=O)(=O)CC(C)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is IQCDTMJKXVMABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-18(16,17)10-12(4)14-13-6-8-15(9-7-13)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine?
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 86811497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).