methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate

C9H20N2S — CID 174074554

IUPACmethyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate
SMILESCS/C(=N\[C@H](C)C(C)C)N(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)8(3)10-9(12-6)11(4)5/h7-8H,1-6H3/b10-9-/t8-/m1/s1
InChIKeyLREZMUSPCUNMLM-SREPSJJZSA-N
MW188.34 g/mol
LogP2.31
Rot. Bonds2

About methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate

methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate (PubChem CID 174074554) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate.

Molecular Properties

Compound Namemethyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate
PubChem CID174074554
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Namemethyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate
SMILESCS/C(=N\[C@H](C)C(C)C)N(C)C
InChIInChI=1S/C9H20N2S/c1-7(2)8(3)10-9(12-6)11(4)5/h7-8H,1-6H3/b10-9-/t8-/m1/s1
InChIKeyLREZMUSPCUNMLM-SREPSJJZSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate?
The IUPAC name of methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate (CID 174074554) is methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate.
What is the SMILES notation for methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate?
The canonical SMILES for methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate is CS/C(=N\[C@H](C)C(C)C)N(C)C.
What is the InChIKey of methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate?
The InChIKey is LREZMUSPCUNMLM-SREPSJJZSA-N. The full InChI is InChI=1S/C9H20N2S/c1-7(2)8(3)10-9(12-6)11(4)5/h7-8H,1-6H3/b10-9-/t8-/m1/s1.
What are the key properties of methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate?
methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate has a molecular weight of 188.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dimethyl-N'-[(2R)-3-methylbutan-2-yl]carbamimidothioate is sourced from PubChem (CID 174074554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).