N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide

C9H19N3OS — CID 115573098

IUPACN-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
SMILESCCNC(=O)C(C)NC(=S)NC(C)C
InChIInChI=1S/C9H19N3OS/c1-5-10-8(13)7(4)12-9(14)11-6(2)3/h6-7H,5H2,1-4H3,(H,10,13)(H2,11,12,14)
InChIKeyLUFYPPMDDCTQER-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.38
Rot. Bonds4

About N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide

N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide (PubChem CID 115573098) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
PubChem CID115573098
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
SMILESCCNC(=O)C(C)NC(=S)NC(C)C
InChIInChI=1S/C9H19N3OS/c1-5-10-8(13)7(4)12-9(14)11-6(2)3/h6-7H,5H2,1-4H3,(H,10,13)(H2,11,12,14)
InChIKeyLUFYPPMDDCTQER-UHFFFAOYSA-N
XLogP0.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
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acetic acid;1,3-di(propan-2-yl)thiourea
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(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
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2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide?
The IUPAC name of N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide (CID 115573098) is N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide?
The canonical SMILES for N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide is CCNC(=O)C(C)NC(=S)NC(C)C.
What is the InChIKey of N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide?
The InChIKey is LUFYPPMDDCTQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-5-10-8(13)7(4)12-9(14)11-6(2)3/h6-7H,5H2,1-4H3,(H,10,13)(H2,11,12,14).
What are the key properties of N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide?
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide has a molecular weight of 217.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide is sourced from PubChem (CID 115573098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).