2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide

C12H22N2S — CID 65496396

IUPAC2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
SMILESCC1CC1CN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H22N2S/c1-9-5-10(9)7-14(2)8-12(3-4-12)6-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyQIEHGSOKGUXNTO-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.03
Rot. Bonds6

About 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65496396) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65496396
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
SMILESCC1CC1CN(C)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H22N2S/c1-9-5-10(9)7-14(2)8-12(3-4-12)6-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyQIEHGSOKGUXNTO-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide (CID 65496396) is 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide is CC1CC1CN(C)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is QIEHGSOKGUXNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-5-10(9)7-14(2)8-12(3-4-12)6-11(13)15/h9-10H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 226.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).