1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine

C8H15NO2S — CID 115337362

IUPAC1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO2S/c1-6-4-8(6,9)7-2-3-12(10,11)5-7/h6-7H,2-5,9H2,1H3
InChIKeyPXEIUYPZXFJARK-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.16
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine

1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine (PubChem CID 115337362) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
PubChem CID115337362
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
SMILESCC1CC1(N)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO2S/c1-6-4-8(6,9)7-2-3-12(10,11)5-7/h6-7H,2-5,9H2,1H3
InChIKeyPXEIUYPZXFJARK-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65421162
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
1-(1,1-dioxothiolan-3-yl)-4-methylcyclohexane-1-carboxylic acid
CID 65394495
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
2-methyl-1-(oxan-4-yl)cyclopropan-1-amine
CID 79333961
2-methyl-1-(1-methylpiperidin-3-yl)cyclopropan-1-amine
CID 84653235
1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
CID 84671818
1-(1,1-dioxothiolan-3-yl)cyclooctane-1-carboxylic acid
CID 80610840
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
3-(methoxymethyl)-5-methyl-1,4-thiazepane 1,1-dioxide
CID 107511171
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine (CID 115337362) is 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine is CC1CC1(N)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine?
The InChIKey is PXEIUYPZXFJARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-6-4-8(6,9)7-2-3-12(10,11)5-7/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine?
1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine has a molecular weight of 189.28 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 115337362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).