N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide

C9H19N3OS — CID 103108210

IUPACN-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide
SMILESCCNC(=S)NC(C)C(=O)N(C)CC
InChIInChI=1S/C9H19N3OS/c1-5-10-9(14)11-7(3)8(13)12(4)6-2/h7H,5-6H2,1-4H3,(H2,10,11,14)
InChIKeyDRIWKQDXXANYIE-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.34
Rot. Bonds4

About N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide

N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide (PubChem CID 103108210) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide
PubChem CID103108210
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide
SMILESCCNC(=S)NC(C)C(=O)N(C)CC
InChIInChI=1S/C9H19N3OS/c1-5-10-9(14)11-7(3)8(13)12(4)6-2/h7H,5-6H2,1-4H3,(H2,10,11,14)
InChIKeyDRIWKQDXXANYIE-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxypentanamide
CID 103113627
N-ethyl-N-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103108695
N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
CID 107036969
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]azetidine-3-carboxamide
CID 103109047
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide?
The IUPAC name of N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide (CID 103108210) is N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide is CCNC(=S)NC(C)C(=O)N(C)CC.
What is the InChIKey of N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide?
The InChIKey is DRIWKQDXXANYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-5-10-9(14)11-7(3)8(13)12(4)6-2/h7H,5-6H2,1-4H3,(H2,10,11,14).
What are the key properties of N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide?
N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide has a molecular weight of 217.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide is sourced from PubChem (CID 103108210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).