(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide

C14H24N2O2S — CID 99859057

IUPAC(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide
SMILESCCS[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C14H24N2O2S/c1-3-19-13-8-4-6-11(13)15-14(18)12-7-5-9-16(12)10(2)17/h11-13H,3-9H2,1-2H3,(H,15,18)/t11-,12+,13+/m1/s1
InChIKeyNHANSSSZCNPWIT-AGIUHOORSA-N
MW284.42 g/mol
LogP1.79
Rot. Bonds4

About (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide (PubChem CID 99859057) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide
PubChem CID99859057
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide
SMILESCCS[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C14H24N2O2S/c1-3-19-13-8-4-6-11(13)15-14(18)12-7-5-9-16(12)10(2)17/h11-13H,3-9H2,1-2H3,(H,15,18)/t11-,12+,13+/m1/s1
InChIKeyNHANSSSZCNPWIT-AGIUHOORSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide (CID 99859057) is (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide is CCS[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide?
The InChIKey is NHANSSSZCNPWIT-AGIUHOORSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-19-13-8-4-6-11(13)15-14(18)12-7-5-9-16(12)10(2)17/h11-13H,3-9H2,1-2H3,(H,15,18)/t11-,12+,13+/m1/s1.
What are the key properties of (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide has a molecular weight of 284.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(1R,2S)-2-ethylsulfanylcyclopentyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99859057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).