N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine

C10H17F2NO2S — CID 142295195

IUPACN-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
SMILESCC1(CNC2(C)CS(=O)(=O)C2)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2S/c1-8(3-10(11,12)4-8)5-13-9(2)6-16(14,15)7-9/h13H,3-7H2,1-2H3
InChIKeyNSYQLHNTBXDJNV-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.20
Rot. Bonds3

About N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine

N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine (PubChem CID 142295195) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
PubChem CID142295195
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC NameN-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine
SMILESCC1(CNC2(C)CS(=O)(=O)C2)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2S/c1-8(3-10(11,12)4-8)5-13-9(2)6-16(14,15)7-9/h13H,3-7H2,1-2H3
InChIKeyNSYQLHNTBXDJNV-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204
3-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
CID 43679704
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
N-(3,3-difluoro-1-methylcyclobutyl)methanesulfinamide
CID 167493938
3-methyl-1,1-dioxo-N-(2-propan-2-yloxyethyl)thiolan-3-amine
CID 60720123
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylacetamide
CID 60720147
1,1-difluoro-3-methyl-3-(sulfamoylamino)cyclobutane
CID 167493650
N-hept-6-enyl-3-methyl-1,1-dioxothiolan-3-amine
CID 107006740
2-ethyl-N'-(3-methyl-1,1-dioxothiolan-3-yl)butane-1,4-diamine
CID 81079908
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The IUPAC name of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine (CID 142295195) is N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The canonical SMILES for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine is CC1(CNC2(C)CS(=O)(=O)C2)CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
The InChIKey is NSYQLHNTBXDJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c1-8(3-10(11,12)4-8)5-13-9(2)6-16(14,15)7-9/h13H,3-7H2,1-2H3.
What are the key properties of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine?
N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-methyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 142295195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).