3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C17H26N4O4S2 — CID 71579742

IUPAC3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)N1CCN(C(CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1
InChIInChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)
InChIKeyMCVZXAIMSDHSPP-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.52
Rot. Bonds6

About 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71579742) has the molecular formula C17H26N4O4S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71579742
Molecular FormulaC17H26N4O4S2
Molecular Weight414.55 g/mol
Exact Mass414.14
IUPAC Name3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)N1CCN(C(CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1
InChIInChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)
InChIKeyMCVZXAIMSDHSPP-UHFFFAOYSA-N
XLogP1.52
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 71579742) is 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)(=O)N1CCN(C(CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1.
What is the InChIKey of 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MCVZXAIMSDHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23).
What are the key properties of 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 414.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methylsulfonyl-2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71579742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).