trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

C14H21NO2S — CID 124731893

IUPACtrans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1sccc1C
InChIInChI=1S/C14H21NO2S/c1-4-14(3,8-16)15-13(17)11-7-10(11)12-9(2)5-6-18-12/h5-6,10-11,16H,4,7-8H2,1-3H3,(H,15,17)/t10-,11-,14-/m1/s1
InChIKeyJGAYUEDCRSOTEB-JTNHKYCSSA-N
MW267.39 g/mol
LogP2.44
Rot. Bonds5

About trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 124731893) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID124731893
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametrans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1sccc1C
InChIInChI=1S/C14H21NO2S/c1-4-14(3,8-16)15-13(17)11-7-10(11)12-9(2)5-6-18-12/h5-6,10-11,16H,4,7-8H2,1-3H3,(H,15,17)/t10-,11-,14-/m1/s1
InChIKeyJGAYUEDCRSOTEB-JTNHKYCSSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 124731893) is trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is CC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1sccc1C.
What is the InChIKey of trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is JGAYUEDCRSOTEB-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-14(3,8-16)15-13(17)11-7-10(11)12-9(2)5-6-18-12/h5-6,10-11,16H,4,7-8H2,1-3H3,(H,15,17)/t10-,11-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124731893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).