N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine

C14H22N2O2S — CID 110868419

IUPACN-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)Cc2ccc(C)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)11-19(17,18)16-9-3-4-14(10-16)15-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyPMOSXCDUCZFUNA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine

N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine (PubChem CID 110868419) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
PubChem CID110868419
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)Cc2ccc(C)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)11-19(17,18)16-9-3-4-14(10-16)15-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyPMOSXCDUCZFUNA-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
ethyl 1-[(4-methylphenyl)methylsulfonyl]piperidine-3-carboxylate
CID 110756011
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
(1-benzylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489941
3-(4-fluorophenyl)-1-[(4-methylphenyl)methylsulfonyl]azepane
CID 121146377
2-cyclopropyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871849
2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine (CID 110868419) is N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine is CNC1CCCN(S(=O)(=O)Cc2ccc(C)cc2)C1.
What is the InChIKey of N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine?
The InChIKey is PMOSXCDUCZFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)11-19(17,18)16-9-3-4-14(10-16)15-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine?
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine has a molecular weight of 282.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine is sourced from PubChem (CID 110868419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).