[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate

C18H22N2O2S — CID 174391927

IUPAC[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)C(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2S/c1-12(22-17(21)20-18(2,3)4)16(23)19-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyAIMFLMMKVZUQHQ-GFCCVEGCSA-N
MW330.45 g/mol
LogP4.49
Rot. Bonds3

About [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate

[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate (PubChem CID 174391927) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate
PubChem CID174391927
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)C(=S)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2S/c1-12(22-17(21)20-18(2,3)4)16(23)19-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,19,23)(H,20,21)/t12-/m1/s1
InChIKeyAIMFLMMKVZUQHQ-GFCCVEGCSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526512
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017680
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966531
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507813
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate (CID 174391927) is [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate is C[C@@H](OC(=O)NC(C)(C)C)C(=S)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate?
The InChIKey is AIMFLMMKVZUQHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(22-17(21)20-18(2,3)4)16(23)19-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,19,23)(H,20,21)/t12-/m1/s1.
What are the key properties of [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate?
[(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate has a molecular weight of 330.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(naphthalen-2-ylamino)-1-sulfanylidenepropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174391927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).