2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine

C11H10F5NS — CID 138497940

IUPAC2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine
SMILESCC1CCC1NSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NS/c1-4-2-3-5(4)17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,17H,2-3H2,1H3
InChIKeyLHGWWSKEIRXQSN-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.78
Rot. Bonds3

About 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine

2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine (PubChem CID 138497940) has the molecular formula C11H10F5NS and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine
PubChem CID138497940
Molecular FormulaC11H10F5NS
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine
SMILESCC1CCC1NSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NS/c1-4-2-3-5(4)17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,17H,2-3H2,1H3
InChIKeyLHGWWSKEIRXQSN-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 130171740
2-fluoro-6-methyl-N-(2-methylcyclobutyl)pyrimidin-4-amine
CID 164645816
3-fluoro-N-(2-methylcyclobutyl)pyrazin-2-amine
CID 164648101
5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
CID 130556137
5-fluoro-N-(2-methylcyclobutyl)pyridin-3-amine
CID 130554519
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
(2R)-N-tert-butyl-2-methylcyclobutan-1-amine
CID 161232093
1-N,2-N-bis[(2,3,4,5,6-pentachlorophenyl)sulfanyl]cyclohexane-1,2-diamine
CID 20557256
6-fluoro-N-(2-methylcyclobutyl)pyrazin-2-amine
CID 164646795
2-[(2-methylcyclobutyl)amino]butanenitrile
CID 130555959
[(1S)-2,5-dimethylcycloheptyl]hydrazine
CID 139382979
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine?
The IUPAC name of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine (CID 138497940) is 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine?
The canonical SMILES for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine is CC1CCC1NSc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine?
The InChIKey is LHGWWSKEIRXQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NS/c1-4-2-3-5(4)17-18-11-9(15)7(13)6(12)8(14)10(11)16/h4-5,17H,2-3H2,1H3.
What are the key properties of 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine?
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine has a molecular weight of 283.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)sulfanylcyclobutan-1-amine is sourced from PubChem (CID 138497940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).