4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide

C16H17N3OS — CID 134115980

IUPAC4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cccc3ccccc23)C(=S)N1
InChIInChI=1S/C16H17N3OS/c1-16(2)10-19(15(21)18-16)14(20)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIGFRHWINJLVKGL-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.34
Rot. Bonds1

About 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide

4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 134115980) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID134115980
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cccc3ccccc23)C(=S)N1
InChIInChI=1S/C16H17N3OS/c1-16(2)10-19(15(21)18-16)14(20)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIGFRHWINJLVKGL-UHFFFAOYSA-N
XLogP3.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.34
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

2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 65460543
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(1S,2R,4S,5R)-5,7,7-trimethyl-N-naphthalen-1-yl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide
CID 98174466
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide (CID 134115980) is 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2cccc3ccccc23)C(=S)N1.
What is the InChIKey of 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is IGFRHWINJLVKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2)10-19(15(21)18-16)14(20)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide?
4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-naphthalen-1-yl-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 134115980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).