N-ethanethioyl-N-propan-2-ylpropanamide

C8H15NOS — CID 175620978

IUPACN-ethanethioyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(C(C)=S)C(C)C
InChIInChI=1S/C8H15NOS/c1-5-8(10)9(6(2)3)7(4)11/h6H,5H2,1-4H3
InChIKeyKYZQHKOILPUQTL-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.98
Rot. Bonds2

About N-ethanethioyl-N-propan-2-ylpropanamide

N-ethanethioyl-N-propan-2-ylpropanamide (PubChem CID 175620978) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-ethanethioyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-ethanethioyl-N-propan-2-ylpropanamide
PubChem CID175620978
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-ethanethioyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(C(C)=S)C(C)C
InChIInChI=1S/C8H15NOS/c1-5-8(10)9(6(2)3)7(4)11/h6H,5H2,1-4H3
InChIKeyKYZQHKOILPUQTL-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-N-pentan-2-ylpropanamide
CID 176989960
N-methyl-N-(2-methylbutanethioyl)propanamide
CID 155185491
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
N-methyl-N-(1-methylsulfonylethyl)propanamide
CID 173145957
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N,N-bis(acetamidomethyl)propanamide
CID 59001687
butan-2-one;ethane;2-methylpropane
CID 145444223

Frequently Asked Questions

What is the IUPAC name of N-ethanethioyl-N-propan-2-ylpropanamide?
The IUPAC name of N-ethanethioyl-N-propan-2-ylpropanamide (CID 175620978) is N-ethanethioyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-ethanethioyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-ethanethioyl-N-propan-2-ylpropanamide is CCC(=O)N(C(C)=S)C(C)C.
What is the InChIKey of N-ethanethioyl-N-propan-2-ylpropanamide?
The InChIKey is KYZQHKOILPUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-5-8(10)9(6(2)3)7(4)11/h6H,5H2,1-4H3.
What are the key properties of N-ethanethioyl-N-propan-2-ylpropanamide?
N-ethanethioyl-N-propan-2-ylpropanamide has a molecular weight of 173.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 175620978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).