[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate

C9H19N3O2S2 — CID 54003718

IUPAC[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate
SMILESCSC(C)(C)C=NOC(=O)N(C)SN(C)C
InChIInChI=1S/C9H19N3O2S2/c1-9(2,15-6)7-10-14-8(13)12(5)16-11(3)4/h7H,1-6H3
InChIKeyKNJSMQFEIKXSFD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds5

About [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate

[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate (PubChem CID 54003718) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate.

Molecular Properties

Compound Name[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate
PubChem CID54003718
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate
SMILESCSC(C)(C)C=NOC(=O)N(C)SN(C)C
InChIInChI=1S/C9H19N3O2S2/c1-9(2,15-6)7-10-14-8(13)12(5)16-11(3)4/h7H,1-6H3
InChIKeyKNJSMQFEIKXSFD-UHFFFAOYSA-N
XLogP2.31
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;urea
CID 87086671
[2,2-bis(methylsulfanyl)propylideneamino] N-(2-chloroacetyl)-N-methylcarbamate
CID 54506934
[dimethylaminosulfanyl(methyl)carbamoyl]oxy-methyl-(1-methylsulfanylethylidene)azanium
CID 54551480
N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
CID 15436
methyl (1E)-N-[[[(E)-1-ethenylsulfanylethylideneamino]oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 143167326
azepan-2-one;[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate
CID 88661345
methyl N-[[(2,6-ditert-butyl-4-formylphenoxy)carbonyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 54244948
methyl (1Z)-2-(dimethylamino)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxy-2-oxoethanimidothioate
CID 24837947
2-(dimethylcarbamoyloxyimino)acetic acid
CID 166865199
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;naphthalen-1-yl N-methylcarbamate
CID 87504977
methyl (1Z)-N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 5486289
methyl N-[[[[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxy-2-(2,2-dimethylhydrazinyl)-2-oxoethanimidothioate
CID 163360409

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate?
The IUPAC name of [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate (CID 54003718) is [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate.
What is the SMILES notation for [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate?
The canonical SMILES for [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate is CSC(C)(C)C=NOC(=O)N(C)SN(C)C.
What is the InChIKey of [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate?
The InChIKey is KNJSMQFEIKXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-9(2,15-6)7-10-14-8(13)12(5)16-11(3)4/h7H,1-6H3.
What are the key properties of [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate?
[(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate has a molecular weight of 265.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-2-methylsulfanylpropylidene)amino] N-(dimethylaminosulfanyl)-N-methylcarbamate is sourced from PubChem (CID 54003718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).