1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine

C12H26N2OS — CID 115901446

IUPAC1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
SMILESCCN1CCC(NC(C)CCS(C)=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-14-8-5-12(6-9-14)13-11(2)7-10-16(3)15/h11-13H,4-10H2,1-3H3
InChIKeyZCNADYCVSNHCSE-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.22
Rot. Bonds6

About 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine

1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine (PubChem CID 115901446) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
PubChem CID115901446
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine
SMILESCCN1CCC(NC(C)CCS(C)=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-14-8-5-12(6-9-14)13-11(2)7-10-16(3)15/h11-13H,4-10H2,1-3H3
InChIKeyZCNADYCVSNHCSE-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
CID 115725724
4-tert-butyl-N-(4-methylsulfinylbutan-2-yl)cycloheptan-1-amine
CID 115750469
1-(cyclopropylmethyl)-N-pentan-2-ylpiperidin-4-amine
CID 115704112
1-(2-methylsulfinylethyl)-4-propan-2-ylpiperidine
CID 59762014
1-[2-[(1-ethylpiperidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 54865964
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
CID 43723592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine (CID 115901446) is 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine is CCN1CCC(NC(C)CCS(C)=O)CC1.
What is the InChIKey of 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine?
The InChIKey is ZCNADYCVSNHCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-14-8-5-12(6-9-14)13-11(2)7-10-16(3)15/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine?
1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine has a molecular weight of 246.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methylsulfinylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 115901446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).