[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea

C15H28N4O4S — CID 97098226

IUPAC[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea
SMILESCCCC[C@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCS1(=O)=O
InChIInChI=1S/C15H28N4O4S/c1-2-3-5-13(19-8-4-11-24(19,22)23)14(20)18-9-6-12(7-10-18)17-15(16)21/h12-13H,2-11H2,1H3,(H3,16,17,21)/t13-/m1/s1
InChIKeyIHIJANXZFDPIIC-CYBMUJFWSA-N
MW360.48 g/mol
LogP0.24
Rot. Bonds6

About [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea

[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea (PubChem CID 97098226) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea
PubChem CID97098226
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC Name[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea
SMILESCCCC[C@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCS1(=O)=O
InChIInChI=1S/C15H28N4O4S/c1-2-3-5-13(19-8-4-11-24(19,22)23)14(20)18-9-6-12(7-10-18)17-15(16)21/h12-13H,2-11H2,1H3,(H3,16,17,21)/t13-/m1/s1
InChIKeyIHIJANXZFDPIIC-CYBMUJFWSA-N
XLogP0.24
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea with MolForge

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Related Compounds

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyrrolidin-1-ylsulfonylhexanamide
CID 75439146
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
1-[4-(cyclobutylamino)piperidin-1-yl]-2-methylpentan-1-one
CID 165457617
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
CID 97098249
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea?
The IUPAC name of [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea (CID 97098226) is [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea is CCCC[C@H](C(=O)N1CCC(NC(N)=O)CC1)N1CCCS1(=O)=O.
What is the InChIKey of [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea?
The InChIKey is IHIJANXZFDPIIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N4O4S/c1-2-3-5-13(19-8-4-11-24(19,22)23)14(20)18-9-6-12(7-10-18)17-15(16)21/h12-13H,2-11H2,1H3,(H3,16,17,21)/t13-/m1/s1.
What are the key properties of [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea?
[1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea has a molecular weight of 360.48 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanoyl]piperidin-4-yl]urea is sourced from PubChem (CID 97098226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).