1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine

C6H11F2NS — CID 131966976

IUPAC1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine
SMILESCSNCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NS/c1-10-9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3
InChIKeyCIMMHAYQRGNNGK-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.90
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine

1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine (PubChem CID 131966976) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine
PubChem CID131966976
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine
SMILESCSNCC1CC(F)(F)C1
InChIInChI=1S/C6H11F2NS/c1-10-9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3
InChIKeyCIMMHAYQRGNNGK-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-Difluorocyclobutyl)methanamine
CID 45480376
(3,3-Difluorocyclobutyl)methylazanium
CID 86316028
(2,2-Difluorocyclobutyl)methanamine
CID 72208272
(S)-(2,2-Difluorocyclobutyl)methanamine
CID 97295114
N-[(3,3-difluorocyclobutyl)methyl]thiohydroxylamine
CID 123810572
N-[2-(3,3-difluorocyclobutyl)ethyl]methanesulfinothioamide
CID 155346496
(R)-(2,2-Difluorocyclobutyl)methanamine
CID 97295115
N-[(3,3-difluorocyclobutyl)methyl]methanesulfonamide
CID 131154537
1-(3,3-difluorocyclobutyl)-N-[methyl(methylidene)-lambda4-sulfanyl]methanamine
CID 162602678
1-cyclobutyl-N-methylsulfanylmethanamine
CID 166750535
1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine
CID 170328299

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine (CID 131966976) is 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine is CSNCC1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine?
The InChIKey is CIMMHAYQRGNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c1-10-9-4-5-2-6(7,8)3-5/h5,9H,2-4H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine?
1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine has a molecular weight of 167.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-N-methylsulfanylmethanamine is sourced from PubChem (CID 131966976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).