N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine

C10H20ClNO2S — CID 61286521

IUPACN-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCCCCCl)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20ClNO2S/c1-12(7-4-2-3-6-11)10-5-8-15(13,14)9-10/h10H,2-9H2,1H3
InChIKeySCFJVTSEQBHITI-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.51
Rot. Bonds6

About N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 61286521) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID61286521
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CCCCCCl)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20ClNO2S/c1-12(7-4-2-3-6-11)10-5-8-15(13,14)9-10/h10H,2-9H2,1H3
InChIKeySCFJVTSEQBHITI-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 61286521) is N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine is CN(CCCCCCl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is SCFJVTSEQBHITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-12(7-4-2-3-6-11)10-5-8-15(13,14)9-10/h10H,2-9H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 253.79 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 61286521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).