prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate

C9H16N2O2S — CID 88888785

IUPACprop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate
SMILESC=C(C)OC(=O)N[C@H](C)C(=S)NCC
InChIInChI=1S/C9H16N2O2S/c1-5-10-8(14)7(4)11-9(12)13-6(2)3/h7H,2,5H2,1,3-4H3,(H,10,14)(H,11,12)/t7-/m1/s1
InChIKeyGYCSWLOCAXSSOR-SSDOTTSWSA-N
MW216.31 g/mol
LogP1.57
Rot. Bonds4

About prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate

prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate (PubChem CID 88888785) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate
PubChem CID88888785
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameprop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate
SMILESC=C(C)OC(=O)N[C@H](C)C(=S)NCC
InChIInChI=1S/C9H16N2O2S/c1-5-10-8(14)7(4)11-9(12)13-6(2)3/h7H,2,5H2,1,3-4H3,(H,10,14)(H,11,12)/t7-/m1/s1
InChIKeyGYCSWLOCAXSSOR-SSDOTTSWSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-3-(ethylamino)-2-methyl-3-sulfanylidenepropanoate
CID 97178563
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
methyl (2S)-3-[(2-hydroxyacetyl)amino]-2-(prop-1-en-2-yloxycarbonylamino)propanoate
CID 88942115
tert-butyl N-[(2R)-1-[2-(ethylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 59191155
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl (2S)-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]propanoate
CID 139974005
prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
CID 89259378
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
prop-1-en-2-yl N-(3-amino-3-oxopropyl)carbamate
CID 88901077
3-[ethylcarbamoyl(2-methylprop-2-enoyloxy)amino]butanoic acid
CID 175199987
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate (CID 88888785) is prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate is C=C(C)OC(=O)N[C@H](C)C(=S)NCC.
What is the InChIKey of prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate?
The InChIKey is GYCSWLOCAXSSOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-5-10-8(14)7(4)11-9(12)13-6(2)3/h7H,2,5H2,1,3-4H3,(H,10,14)(H,11,12)/t7-/m1/s1.
What are the key properties of prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate?
prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate has a molecular weight of 216.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[(2R)-1-(ethylamino)-1-sulfanylidenepropan-2-yl]carbamate is sourced from PubChem (CID 88888785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).