1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine

C9H17NO2S — CID 84671818

IUPAC1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
SMILESCNC1(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C9H17NO2S/c1-10-9(4-5-9)8-2-6-13(11,12)7-3-8/h8,10H,2-7H2,1H3
InChIKeyRHZSLSNXQUMMSI-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine

1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine (PubChem CID 84671818) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
PubChem CID84671818
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine
SMILESCNC1(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C9H17NO2S/c1-10-9(4-5-9)8-2-6-13(11,12)7-3-8/h8,10H,2-7H2,1H3
InChIKeyRHZSLSNXQUMMSI-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methylcyclopropan-1-amine
CID 83681709
N-methyl-1-[(3R)-pyrrolidin-3-yl]cyclopropan-1-amine
CID 54264845
1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
CID 115337362
1-(1,1-dioxothian-4-yl)cyclobutane-1-carboxylic acid
CID 82619742
N-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 84650253
4-(3-fluoro-1-isocyanato-3-methylcyclobutyl)thiane 1,1-dioxide
CID 115048817
(1S)-N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 97108411
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine (CID 84671818) is 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine is CNC1(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine?
The InChIKey is RHZSLSNXQUMMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10-9(4-5-9)8-2-6-13(11,12)7-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine?
1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine has a molecular weight of 203.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-N-methylcyclopropan-1-amine is sourced from PubChem (CID 84671818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).