N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine

C13H20N2O3S — CID 4270050

IUPACN-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOc1ccccc1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyULAJHLFVFCPXMF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.53
Rot. Bonds4

About N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine

N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 4270050) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID4270050
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOc1ccccc1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H20N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyULAJHLFVFCPXMF-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
4-(2-methoxyanilino)cyclohexan-1-one
CID 117027862
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 63669829
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
N-(2-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 90237422
N-(2,5-dimethoxyphenyl)-1-ethylsulfonylpiperidin-4-amine
CID 3330886
2-methyl-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 43628754
N-benzyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;hydrochloride
CID 164612227
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine (CID 4270050) is N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine is COc1ccccc1NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ULAJHLFVFCPXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 4270050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).