N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine

C16H26N2O2S — CID 43738170

IUPACN-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-21(19,20)16-8-6-5-7-15(16)17-14-9-11-18(12-10-14)13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyAEHHHCSLPCBETA-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.76
Rot. Bonds5

About N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine

N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43738170) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43738170
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H26N2O2S/c1-4-21(19,20)16-8-6-5-7-15(16)17-14-9-11-18(12-10-14)13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyAEHHHCSLPCBETA-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43453589
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
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CID 43687285
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222290
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine (CID 43738170) is N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine is CCS(=O)(=O)c1ccccc1NC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is AEHHHCSLPCBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-21(19,20)16-8-6-5-7-15(16)17-14-9-11-18(12-10-14)13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 310.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43738170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).