cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C14H19NO3S — CID 114091890

IUPACcis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H19NO3S/c1-8(7-9-5-4-6-19-9)15-12(16)10-11(13(17)18)14(10,2)3/h4-6,8,10-11H,7H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-,11+/m1/s1
InChIKeyOVFIOWDEZPELOP-JROPRLTOSA-N
MW281.38 g/mol
LogP2.15
Rot. Bonds5

About cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 114091890) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID114091890
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(Cc1cccs1)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H19NO3S/c1-8(7-9-5-4-6-19-9)15-12(16)10-11(13(17)18)14(10,2)3/h4-6,8,10-11H,7H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-,11+/m1/s1
InChIKeyOVFIOWDEZPELOP-JROPRLTOSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

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CID 104962113
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2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
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CID 159530206
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CID 61178552
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 114091890) is cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC(Cc1cccs1)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is OVFIOWDEZPELOP-JROPRLTOSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8(7-9-5-4-6-19-9)15-12(16)10-11(13(17)18)14(10,2)3/h4-6,8,10-11H,7H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114091890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).