(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide

C13H23NO3S — CID 164640721

IUPAC(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCC1(S(=O)(=O)NC(=O)[C@H]2CCCC2(C)C)CC1
InChIInChI=1S/C13H23NO3S/c1-4-13(8-9-13)18(16,17)14-11(15)10-6-5-7-12(10,2)3/h10H,4-9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyJNWWMKMETCBIQN-SNVBAGLBSA-N
MW273.40 g/mol
LogP2.20
Rot. Bonds4

About (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide

(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 164640721) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID164640721
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCC1(S(=O)(=O)NC(=O)[C@H]2CCCC2(C)C)CC1
InChIInChI=1S/C13H23NO3S/c1-4-13(8-9-13)18(16,17)14-11(15)10-6-5-7-12(10,2)3/h10H,4-9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyJNWWMKMETCBIQN-SNVBAGLBSA-N
XLogP2.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide (CID 164640721) is (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide is CCC1(S(=O)(=O)NC(=O)[C@H]2CCCC2(C)C)CC1.
What is the InChIKey of (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is JNWWMKMETCBIQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-4-13(8-9-13)18(16,17)14-11(15)10-6-5-7-12(10,2)3/h10H,4-9H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide?
(1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1-ethylcyclopropyl)sulfonyl-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 164640721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).