N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

C15H31N3O2S — CID 43628730

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCN1CCCC(C(C)NC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-4-17-9-5-6-14(12-17)13(2)16-15-7-10-18(11-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyBNIGOBBYHWTDAI-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.12
Rot. Bonds5

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628730) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628730
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCCN1CCCC(C(C)NC2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H31N3O2S/c1-4-17-9-5-6-14(12-17)13(2)16-15-7-10-18(11-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyBNIGOBBYHWTDAI-UHFFFAOYSA-N
XLogP1.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
CID 98227926
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 119930356
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
CID 162066506
N-(2,2-difluoroethyl)-1-ethylsulfonyl-N-(piperidin-4-ylmethyl)piperidin-4-amine
CID 172297133
(2R,6S)-2-fluoro-6-methyl-1-(piperidin-4-ylmethylsulfonyl)piperidine
CID 173833610
(2R,6S)-2-fluoro-6-methyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 173833616
1,1-difluoro-N-(1-piperidin-3-ylethyl)methanesulfonamide
CID 43523458
N-[1-[1-(difluoromethylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 55258000

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 43628730) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is CCN1CCCC(C(C)NC2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is BNIGOBBYHWTDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-17-9-5-6-14(12-17)13(2)16-15-7-10-18(11-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 317.50 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).