N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine

C10H18F3NS — CID 116617703

IUPACN-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
SMILESCC(C)(CCSC(F)(F)F)CNC1CC1
InChIInChI=1S/C10H18F3NS/c1-9(2,7-14-8-3-4-8)5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWTZMRTDBNZBQER-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds6

About N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine

N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine (PubChem CID 116617703) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
PubChem CID116617703
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
SMILESCC(C)(CCSC(F)(F)F)CNC1CC1
InChIInChI=1S/C10H18F3NS/c1-9(2,7-14-8-3-4-8)5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyWTZMRTDBNZBQER-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3,3-dimethyl-N-(2-methylsulfanylpropan-2-yl)butan-2-amine
CID 166671911
N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567635
5,5,5-trifluoro-1-methylsulfanyl-N-propylpentan-2-amine
CID 64567636
1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65132245
1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 65132953
4,4-dimethyl-N-(3,3,3-trifluoropropyl)thian-3-amine
CID 79947873
4,4-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79952286
5,5-dimethyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 79955131
5,5-dimethyl-N-(3,3,3-trifluoropropyl)thian-3-amine
CID 79958006
N-[2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-enyl]cyclopropanamine
CID 102641186
N-(1,1-difluoropropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 102869595
N-(1,1-difluoropropan-2-yl)-4-methylsulfanylbutan-1-amine
CID 102870088

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine (CID 116617703) is N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine is CC(C)(CCSC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The InChIKey is WTZMRTDBNZBQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-9(2,7-14-8-3-4-8)5-6-15-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine is sourced from PubChem (CID 116617703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).