N-[3-(dimethylamino)propyl]methanethioamide

C6H14N2S — CID 55286500

IUPACN-[3-(dimethylamino)propyl]methanethioamide
SMILESCN(C)CCCNC=S
InChIInChI=1S/C6H14N2S/c1-8(2)5-3-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9)
InChIKeyVVXOADLRVCBMID-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.48
Rot. Bonds5

About N-[3-(dimethylamino)propyl]methanethioamide

N-[3-(dimethylamino)propyl]methanethioamide (PubChem CID 55286500) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]methanethioamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]methanethioamide
PubChem CID55286500
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC NameN-[3-(dimethylamino)propyl]methanethioamide
SMILESCN(C)CCCNC=S
InChIInChI=1S/C6H14N2S/c1-8(2)5-3-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9)
InChIKeyVVXOADLRVCBMID-UHFFFAOYSA-N
XLogP0.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]methanethioamide?
The IUPAC name of N-[3-(dimethylamino)propyl]methanethioamide (CID 55286500) is N-[3-(dimethylamino)propyl]methanethioamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]methanethioamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]methanethioamide is CN(C)CCCNC=S.
What is the InChIKey of N-[3-(dimethylamino)propyl]methanethioamide?
The InChIKey is VVXOADLRVCBMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-8(2)5-3-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9).
What are the key properties of N-[3-(dimethylamino)propyl]methanethioamide?
N-[3-(dimethylamino)propyl]methanethioamide has a molecular weight of 146.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]methanethioamide is sourced from PubChem (CID 55286500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).