N-(3-aminopropyl)-N-methylthiane-2-carboxamide

C10H20N2OS — CID 115318914

IUPACN-(3-aminopropyl)-N-methylthiane-2-carboxamide
SMILESCN(CCCN)C(=O)C1CCCCS1
InChIInChI=1S/C10H20N2OS/c1-12(7-4-6-11)10(13)9-5-2-3-8-14-9/h9H,2-8,11H2,1H3
InChIKeyAMLAWSVNKMJUDF-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.08
Rot. Bonds4

About N-(3-aminopropyl)-N-methylthiane-2-carboxamide

N-(3-aminopropyl)-N-methylthiane-2-carboxamide (PubChem CID 115318914) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylthiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylthiane-2-carboxamide
PubChem CID115318914
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-aminopropyl)-N-methylthiane-2-carboxamide
SMILESCN(CCCN)C(=O)C1CCCCS1
InChIInChI=1S/C10H20N2OS/c1-12(7-4-6-11)10(13)9-5-2-3-8-14-9/h9H,2-8,11H2,1H3
InChIKeyAMLAWSVNKMJUDF-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylthiane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-methylthiane-2-carboxamide (CID 115318914) is N-(3-aminopropyl)-N-methylthiane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylthiane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylthiane-2-carboxamide is CN(CCCN)C(=O)C1CCCCS1.
What is the InChIKey of N-(3-aminopropyl)-N-methylthiane-2-carboxamide?
The InChIKey is AMLAWSVNKMJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12(7-4-6-11)10(13)9-5-2-3-8-14-9/h9H,2-8,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylthiane-2-carboxamide?
N-(3-aminopropyl)-N-methylthiane-2-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylthiane-2-carboxamide is sourced from PubChem (CID 115318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).