N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide

C14H23NO3S — CID 136546788

IUPACN-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)CCC1CCCC1)C1CC1C1CC1
InChIInChI=1S/C14H23NO3S/c16-14(13-9-12(13)11-5-6-11)15-19(17,18)8-7-10-3-1-2-4-10/h10-13H,1-9H2,(H,15,16)
InChIKeyQCTQWEOQQLSQDF-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.06
Rot. Bonds6

About N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide

N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide (PubChem CID 136546788) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide
PubChem CID136546788
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)CCC1CCCC1)C1CC1C1CC1
InChIInChI=1S/C14H23NO3S/c16-14(13-9-12(13)11-5-6-11)15-19(17,18)8-7-10-3-1-2-4-10/h10-13H,1-9H2,(H,15,16)
InChIKeyQCTQWEOQQLSQDF-UHFFFAOYSA-N
XLogP2.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide (CID 136546788) is N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)CCC1CCCC1)C1CC1C1CC1.
What is the InChIKey of N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide?
The InChIKey is QCTQWEOQQLSQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c16-14(13-9-12(13)11-5-6-11)15-19(17,18)8-7-10-3-1-2-4-10/h10-13H,1-9H2,(H,15,16).
What are the key properties of N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide?
N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 136546788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).