N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide

C6H11N3OS3 — CID 21150897

IUPACN,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCSN(SC)C(=O)N1CCNC1=S
InChIInChI=1S/C6H11N3OS3/c1-12-9(13-2)6(10)8-4-3-7-5(8)11/h3-4H2,1-2H3,(H,7,11)
InChIKeyAZRVHPGHFSMWFI-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.15
Rot. Bonds2

About N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide

N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 21150897) has the molecular formula C6H11N3OS3 and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID21150897
Molecular FormulaC6H11N3OS3
Molecular Weight237.37 g/mol
Exact Mass237.01
IUPAC NameN,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCSN(SC)C(=O)N1CCNC1=S
InChIInChI=1S/C6H11N3OS3/c1-12-9(13-2)6(10)8-4-3-7-5(8)11/h3-4H2,1-2H3,(H,7,11)
InChIKeyAZRVHPGHFSMWFI-UHFFFAOYSA-N
XLogP1.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide (CID 21150897) is N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide is CSN(SC)C(=O)N1CCNC1=S.
What is the InChIKey of N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is AZRVHPGHFSMWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS3/c1-12-9(13-2)6(10)8-4-3-7-5(8)11/h3-4H2,1-2H3,(H,7,11).
What are the key properties of N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide?
N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 21150897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).