N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine

C12H15F2NS2 — CID 102671126

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H15F2NS2/c1-8-11(6-7-16-8)15-9-2-4-10(5-3-9)17-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyYTEHGXKYSFPQSM-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.31
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine

N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine (PubChem CID 102671126) has the molecular formula C12H15F2NS2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine
PubChem CID102671126
Molecular FormulaC12H15F2NS2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H15F2NS2/c1-8-11(6-7-16-8)15-9-2-4-10(5-3-9)17-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyYTEHGXKYSFPQSM-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiolan-3-amine
CID 79942443
6-fluoro-N-(2-methylthiolan-3-yl)pyridin-3-amine
CID 102672913
2-methyl-N-(4-methylphenyl)thian-3-amine
CID 79957900
tert-butyl N-[4-[(2-methylthiolan-3-yl)amino]phenyl]carbamate
CID 102671163
N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
CID 102671123
2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
CID 102671016
N-[4-(difluoromethylsulfanyl)phenyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853200
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
N-[4-[(2-methylthian-3-yl)amino]phenyl]methanesulfonamide
CID 79957384
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]thian-3-amine
CID 79957920
N-[4-(difluoromethylsulfanyl)phenyl]-1-propylpiperidin-4-amine
CID 43673068

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine (CID 102671126) is N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine is CC1SCCC1Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine?
The InChIKey is YTEHGXKYSFPQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS2/c1-8-11(6-7-16-8)15-9-2-4-10(5-3-9)17-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine?
N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine has a molecular weight of 275.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).