N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

C16H26N2O2S — CID 84595460

IUPACN-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cccc(C)c1CCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O2S/c1-13-5-4-6-14(2)16(13)7-10-17-15-8-11-18(12-9-15)21(3,19)20/h4-6,15,17H,7-12H2,1-3H3
InChIKeyNBBXQLYDWIYOCJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 84595460) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID84595460
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cccc(C)c1CCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H26N2O2S/c1-13-5-4-6-14(2)16(13)7-10-17-15-8-11-18(12-9-15)21(3,19)20/h4-6,15,17H,7-12H2,1-3H3
InChIKeyNBBXQLYDWIYOCJ-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)ethane-1,2-diamine
CID 75382777
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
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N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 84595460) is N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is Cc1cccc(C)c1CCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is NBBXQLYDWIYOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-5-4-6-14(2)16(13)7-10-17-15-8-11-18(12-9-15)21(3,19)20/h4-6,15,17H,7-12H2,1-3H3.
What are the key properties of N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 310.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 84595460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).