N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide

C12H24N2O2S — CID 106247834

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSCC(C)(O)CNC(=O)CCC1CCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-14-11(15)4-3-10-5-6-13-7-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWTOGWEPOJGKAEQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.61
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 106247834) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID106247834
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSCC(C)(O)CNC(=O)CCC1CCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-14-11(15)4-3-10-5-6-13-7-10/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWTOGWEPOJGKAEQ-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(3-pyrrolidin-3-ylpropanoylamino)propanamide
CID 103859907
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
CID 106247600
2-hydroxy-2-methyl-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 66177244
N-(4-hydroxy-2,2-dimethylbutyl)-3-piperidin-4-ylpropanamide
CID 114150053
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 106247651
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
N-(2-methoxy-2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 113343490
3-cyclopentyl-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114785
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-[(1-propan-2-ylcyclopropyl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859941
N-(2-ethylsulfinylethyl)-3-pyrrolidin-3-ylpropanamide
CID 115774837
N-(3,3-difluoro-2-hydroxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 103859922

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide (CID 106247834) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide is CSCC(C)(O)CNC(=O)CCC1CCNC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is WTOGWEPOJGKAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(16,9-17-2)8-14-11(15)4-3-10-5-6-13-7-10/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 260.40 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 106247834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).