N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide

C8H16N2S — CID 14876850

IUPACN-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide
SMILESC=C(C)C(=S)NCCN(C)C
InChIInChI=1S/C8H16N2S/c1-7(2)8(11)9-5-6-10(3)4/h1,5-6H2,2-4H3,(H,9,11)
InChIKeyNHKFFJAPIXSCOW-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide

N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide (PubChem CID 14876850) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide
PubChem CID14876850
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide
SMILESC=C(C)C(=S)NCCN(C)C
InChIInChI=1S/C8H16N2S/c1-7(2)8(11)9-5-6-10(3)4/h1,5-6H2,2-4H3,(H,9,11)
InChIKeyNHKFFJAPIXSCOW-UHFFFAOYSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide (CID 14876850) is N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide is C=C(C)C(=S)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide?
The InChIKey is NHKFFJAPIXSCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-7(2)8(11)9-5-6-10(3)4/h1,5-6H2,2-4H3,(H,9,11).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide?
N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide has a molecular weight of 172.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methylprop-2-enethioamide is sourced from PubChem (CID 14876850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).