trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide

C10H17NOS — CID 127004064

IUPACtrans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1CSC1(C)C
InChIInChI=1S/C10H17NOS/c1-6-4-7(6)9(12)11-8-5-13-10(8,2)3/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1
InChIKeyBSJSTKSYWLYUDO-WPZUCAASSA-N
MW199.32 g/mol
LogP1.65
Rot. Bonds2

About trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 127004064) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID127004064
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Nametrans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1CSC1(C)C
InChIInChI=1S/C10H17NOS/c1-6-4-7(6)9(12)11-8-5-13-10(8,2)3/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1
InChIKeyBSJSTKSYWLYUDO-WPZUCAASSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide (CID 127004064) is trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NC1CSC1(C)C.
What is the InChIKey of trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is BSJSTKSYWLYUDO-WPZUCAASSA-N. The full InChI is InChI=1S/C10H17NOS/c1-6-4-7(6)9(12)11-8-5-13-10(8,2)3/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7-,8?/m0/s1.
What are the key properties of trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 199.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 127004064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).