1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine

C10H19NO2S — CID 115336537

IUPAC1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-8(2)6-10(11)9-4-5-14(12,13)7-9/h9-10H,2-7,11H2,1H3
InChIKeyRHKRKLLEBPSYKC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.10
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine

1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine (PubChem CID 115336537) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine
PubChem CID115336537
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-8(2)6-10(11)9-4-5-14(12,13)7-9/h9-10H,2-7,11H2,1H3
InChIKeyRHKRKLLEBPSYKC-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
CID 115517578
3-methylidene-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105164028
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65019905
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
CID 62913879
1-(1,1-dioxothian-4-yl)butan-1-amine
CID 83048118
1-(2,2-dimethylcyclohexyl)-3-methylidenepentan-1-amine
CID 107189793
methyl 3-amino-3-(1,1-dioxothiolan-3-yl)-2,2-dimethylpropanoate
CID 115046489
2-(1,1-dioxothiolan-3-yl)propanediamide
CID 3152336

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine (CID 115336537) is 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine?
The InChIKey is RHKRKLLEBPSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-8(2)6-10(11)9-4-5-14(12,13)7-9/h9-10H,2-7,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine?
1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.10, 4 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)-3-methylidenepentan-1-amine is sourced from PubChem (CID 115336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).