N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide

C10H20N2OS — CID 80585387

IUPACN,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCC1CCCS1
InChIInChI=1S/C10H20N2OS/c1-12(2)10(13)5-6-11-8-9-4-3-7-14-9/h9,11H,3-8H2,1-2H3
InChIKeyKJTRGPNQWJYXES-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.95
Rot. Bonds5

About N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide

N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide (PubChem CID 80585387) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
PubChem CID80585387
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCC1CCCS1
InChIInChI=1S/C10H20N2OS/c1-12(2)10(13)5-6-11-8-9-4-3-7-14-9/h9,11H,3-8H2,1-2H3
InChIKeyKJTRGPNQWJYXES-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide (CID 80585387) is N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide is CN(C)C(=O)CCNCC1CCCS1.
What is the InChIKey of N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide?
The InChIKey is KJTRGPNQWJYXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12(2)10(13)5-6-11-8-9-4-3-7-14-9/h9,11H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide?
N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide has a molecular weight of 216.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide is sourced from PubChem (CID 80585387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).