N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide

C10H21NO2S — CID 115691770

IUPACN-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(O)CCN(C)C(=O)CSC(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)14-7-10(13)11(4)6-5-9(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyFAPZKAQPZJFSSC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds6

About N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide

N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide (PubChem CID 115691770) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
PubChem CID115691770
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(O)CCN(C)C(=O)CSC(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)14-7-10(13)11(4)6-5-9(3)12/h8-9,12H,5-7H2,1-4H3
InChIKeyFAPZKAQPZJFSSC-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
CID 115691637
N-(3-hydroxybutyl)-2-(4-methoxyphenyl)sulfanyl-N-methylacetamide
CID 115691423
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115760042
2-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]sulfanylacetamide
CID 119660546
2-ethoxy-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695628
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
CID 113499567
N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 115740129

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide (CID 115691770) is N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide is CC(O)CCN(C)C(=O)CSC(C)C.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
The InChIKey is FAPZKAQPZJFSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)14-7-10(13)11(4)6-5-9(3)12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide?
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 115691770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).