(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine

C10H19NO2S — CID 131002770

IUPAC(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC1CC(N[C@@H]2CS(=O)(=O)C[C@H]2C)C1
InChIInChI=1S/C10H19NO2S/c1-7-3-9(4-7)11-10-6-14(12,13)5-8(10)2/h7-11H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1
InChIKeyBMXBHFLENYJURN-QLVNRRSVSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds2

About (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine

(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine (PubChem CID 131002770) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine
PubChem CID131002770
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine
SMILESCC1CC(N[C@@H]2CS(=O)(=O)C[C@H]2C)C1
InChIInChI=1S/C10H19NO2S/c1-7-3-9(4-7)11-10-6-14(12,13)5-8(10)2/h7-11H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1
InChIKeyBMXBHFLENYJURN-QLVNRRSVSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine (CID 131002770) is (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine is CC1CC(N[C@@H]2CS(=O)(=O)C[C@H]2C)C1.
What is the InChIKey of (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine?
The InChIKey is BMXBHFLENYJURN-QLVNRRSVSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7-3-9(4-7)11-10-6-14(12,13)5-8(10)2/h7-11H,3-6H2,1-2H3/t7?,8-,9?,10-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine?
(3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-(3-methylcyclobutyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 131002770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).