N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine

C10H17F2NS — CID 131101604

IUPACN-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine
SMILESCC1CSCC1NC1CC(C(F)F)C1
InChIInChI=1S/C10H17F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h6-10,13H,2-5H2,1H3
InChIKeyOZBGVQPSZGVTEF-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.37
Rot. Bonds3

About N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine

N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine (PubChem CID 131101604) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine
PubChem CID131101604
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC NameN-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine
SMILESCC1CSCC1NC1CC(C(F)F)C1
InChIInChI=1S/C10H17F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h6-10,13H,2-5H2,1H3
InChIKeyOZBGVQPSZGVTEF-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
CID 140796110
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
N-ethyl-1-ethylsulfanyl-5,5,5-trifluoropentan-2-amine
CID 65127530
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
N-ethyl-5,5,5-trifluoro-1-propylsulfanylpentan-2-amine
CID 65128747
5,5,5-trifluoro-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128872
N-ethyl-5,5,5-trifluoro-1-propan-2-ylsulfanylpentan-2-amine
CID 65131549
5,5,5-trifluoro-1-propan-2-ylsulfanyl-N-propylpentan-2-amine
CID 65131792
1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65132245
1-tert-butylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65132890
1-tert-butylsulfanyl-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 65132953
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine?
The IUPAC name of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine (CID 131101604) is N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine.
What is the SMILES notation for N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine?
The canonical SMILES for N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine is CC1CSCC1NC1CC(C(F)F)C1.
What is the InChIKey of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine?
The InChIKey is OZBGVQPSZGVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c1-6-4-14-5-9(6)13-8-2-7(3-8)10(11)12/h6-10,13H,2-5H2,1H3.
What are the key properties of N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine?
N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine has a molecular weight of 221.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)cyclobutyl]-4-methylthiolan-3-amine is sourced from PubChem (CID 131101604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).