N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine

C14H21NO3S — CID 43609832

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-11(15-13-7-9-18-10-8-13)12-3-5-14(6-4-12)19(2,16)17/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyPMEUJANVFHSTDN-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds4

About N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine

N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine (PubChem CID 43609832) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
PubChem CID43609832
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-11(15-13-7-9-18-10-8-13)12-3-5-14(6-4-12)19(2,16)17/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyPMEUJANVFHSTDN-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
2-cyclopropyl-N-[1-(4-methylsulfonylphenyl)ethyl]oxolan-3-amine
CID 103905754
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine (CID 43609832) is N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine is CC(NC1CCOCC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine?
The InChIKey is PMEUJANVFHSTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(15-13-7-9-18-10-8-13)12-3-5-14(6-4-12)19(2,16)17/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine?
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine has a molecular weight of 283.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 43609832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).