1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide

C15H21NO3S — CID 70583863

IUPAC1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCC1CC1(C)C(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H21NO3S/c1-10(2)20(18,19)13-7-5-12(6-8-13)16-14(17)15(4)9-11(15)3/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyLKPWOSWZYUBHOH-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.85
Rot. Bonds4

About 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide

1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 70583863) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID70583863
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCC1CC1(C)C(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H21NO3S/c1-10(2)20(18,19)13-7-5-12(6-8-13)16-14(17)15(4)9-11(15)3/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyLKPWOSWZYUBHOH-UHFFFAOYSA-N
XLogP2.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 70583863) is 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide is CC1CC1(C)C(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LKPWOSWZYUBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10(2)20(18,19)13-7-5-12(6-8-13)16-14(17)15(4)9-11(15)3/h5-8,10-11H,9H2,1-4H3,(H,16,17).
What are the key properties of 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide?
1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-propan-2-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70583863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).