[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium

C18H28N3O3S+ — CID 9055372

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/p+1/t15-/m0/s1
InChIKeyGRYQOMCLBLLSKP-HNNXBMFYSA-O
MW366.51 g/mol
LogP1.08
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 9055372) has the molecular formula C18H28N3O3S+ and a molecular weight of 366.51 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
PubChem CID9055372
Molecular FormulaC18H28N3O3S+
Molecular Weight366.51 g/mol
Exact Mass366.18
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
SMILESO=C(C[NH+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/p+1/t15-/m0/s1
InChIKeyGRYQOMCLBLLSKP-HNNXBMFYSA-O
XLogP1.08
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium (CID 9055372) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium is O=C(C[NH+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is GRYQOMCLBLLSKP-HNNXBMFYSA-O. The full InChI is InChI=1S/C18H27N3O3S/c22-17(20-18(23)19-14-5-1-2-6-14)13-21(11-15-7-3-9-24-15)12-16-8-4-10-25-16/h4,8,10,14-15H,1-3,5-7,9,11-13H2,(H2,19,20,22,23)/p+1/t15-/m0/s1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 366.51 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 9055372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).