N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide

C10H20N2OS — CID 139762195

IUPACN-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1CSCN1
InChIInChI=1S/C10H20N2OS/c1-8(2)3-4-11-10(13)5-9-6-14-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)/t9-/m1/s1
InChIKeyRMBJGTDVJQDZBY-SECBINFHSA-N
MW216.35 g/mol
LogP1.20
Rot. Bonds5

About N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide

N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide (PubChem CID 139762195) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide
PubChem CID139762195
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1CSCN1
InChIInChI=1S/C10H20N2OS/c1-8(2)3-4-11-10(13)5-9-6-14-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)/t9-/m1/s1
InChIKeyRMBJGTDVJQDZBY-SECBINFHSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 54592552
N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43131419
N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113477449
N-(1-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113494744
N-(1-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116088763
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 22443888
2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide
CID 71853777
2-Amino-3-methyl-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 9942346
L59Luq5xbh
CID 11171688
(2S)-2-amino-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 22691972
N-methyl-2-thiomorpholin-3-ylpropanamide
CID 23090486

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide (CID 139762195) is N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide is CC(C)CCNC(=O)C[C@@H]1CSCN1.
What is the InChIKey of N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is RMBJGTDVJQDZBY-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(2)3-4-11-10(13)5-9-6-14-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)/t9-/m1/s1.
What are the key properties of N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide?
N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 216.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(4R)-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 139762195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).