N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine

C16H25NO3S — CID 81416937

IUPACN,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(S(C)(=O)=O)c(OC)c2)C1CC
InChIInChI=1S/C16H25NO3S/c1-5-12-13(10-14(12)17-6-2)11-7-8-16(21(4,18)19)15(9-11)20-3/h7-9,12-14,17H,5-6,10H2,1-4H3
InChIKeyWBXIXJWVPXMXJE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.59
Rot. Bonds6

About N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine

N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine (PubChem CID 81416937) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
PubChem CID81416937
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(S(C)(=O)=O)c(OC)c2)C1CC
InChIInChI=1S/C16H25NO3S/c1-5-12-13(10-14(12)17-6-2)11-7-8-16(21(4,18)19)15(9-11)20-3/h7-9,12-14,17H,5-6,10H2,1-4H3
InChIKeyWBXIXJWVPXMXJE-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
CID 81418387
2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol
CID 81416782
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-N,2-diethylcyclobutan-1-amine
CID 81417149
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane
CID 68519082
3-(4-butoxy-3-methoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416544
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
CID 114068499
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-[(3-methoxy-4-methylsulfonylphenyl)methyl]-1,2,4-oxadiazole
CID 166332356
2-chloro-4-(2-ethylcyclopentyl)-1-methylsulfonylbenzene
CID 174372786

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine (CID 81416937) is N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine is CCNC1CC(c2ccc(S(C)(=O)=O)c(OC)c2)C1CC.
What is the InChIKey of N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine?
The InChIKey is WBXIXJWVPXMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-12-13(10-14(12)17-6-2)11-7-8-16(21(4,18)19)15(9-11)20-3/h7-9,12-14,17H,5-6,10H2,1-4H3.
What are the key properties of N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine?
N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81416937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).