[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane

C7H15N3O2S — CID 173434220

IUPAC[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane
SMILESC.CC(=NOC(N)=O)C(=S)N(C)C
InChIInChI=1S/C6H11N3O2S.CH4/c1-4(5(12)9(2)3)8-11-6(7)10;/h1-3H3,(H2,7,10);1H4
InChIKeyFIJZJLOGZDLQEC-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.98
Rot. Bonds2

About [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane

[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane (PubChem CID 173434220) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane.

Molecular Properties

Compound Name[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane
PubChem CID173434220
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane
SMILESC.CC(=NOC(N)=O)C(=S)N(C)C
InChIInChI=1S/C6H11N3O2S.CH4/c1-4(5(12)9(2)3)8-11-6(7)10;/h1-3H3,(H2,7,10);1H4
InChIKeyFIJZJLOGZDLQEC-UHFFFAOYSA-N
XLogP0.98
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(butan-2-ylideneamino) carbamate
CID 54343836
(1-chloroethylideneamino) carbamate
CID 3077605
[(E)-3-methylbutan-2-ylideneamino] carbamate
CID 143595167
carbamothioic S-acid;N,N-dimethylacetamide;O-methyl carbamothioate
CID 88607211
acetamide;ethanethioamide
CID 159993772
[(E)-2-methylpentan-3-ylideneamino] carbamate
CID 172920037
carbamothioic S-acid;bis(dimethylcarbamodithioic acid);zinc
CID 173305177
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
acetamide;alumane
CID 174673000
N,N-dimethylethanethioamide;hydrazine
CID 159847458
2-(dimethylamino)-N-methyl-2-sulfanylideneacetamide
CID 55288321
(E)-3-hydroxy-N,N,2-trimethylbut-2-enethioamide
CID 135963002

Frequently Asked Questions

What is the IUPAC name of [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane?
The IUPAC name of [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane (CID 173434220) is [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane.
What is the SMILES notation for [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane?
The canonical SMILES for [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane is C.CC(=NOC(N)=O)C(=S)N(C)C.
What is the InChIKey of [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane?
The InChIKey is FIJZJLOGZDLQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S.CH4/c1-4(5(12)9(2)3)8-11-6(7)10;/h1-3H3,(H2,7,10);1H4.
What are the key properties of [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane?
[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane has a molecular weight of 205.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane is sourced from PubChem (CID 173434220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).