N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

C11H24N2O2S — CID 79611008

IUPACN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCCNC(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-4-12-10(2)8-11-6-5-7-13(9-11)16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyKAFUVONWNPQIOS-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (PubChem CID 79611008) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
PubChem CID79611008
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCCNC(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S/c1-4-12-10(2)8-11-6-5-7-13(9-11)16(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyKAFUVONWNPQIOS-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
N-ethyl-1,1-dimethoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79621945
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
3-cyclopropyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105011176
1-(4-bromothiophen-2-yl)-N-ethyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610527
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011091
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-(butan-2-ylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116556123
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (CID 79611008) is N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is CCNC(C)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The InChIKey is KAFUVONWNPQIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-12-10(2)8-11-6-5-7-13(9-11)16(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is sourced from PubChem (CID 79611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).