N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide

C8H17NO2S — CID 106357968

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
SMILESCC(C)C(CCO)NC(=O)CS
InChIInChI=1S/C8H17NO2S/c1-6(2)7(3-4-10)9-8(11)5-12/h6-7,10,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyOJBWLQQWNSCSOK-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.44
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide (PubChem CID 106357968) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
PubChem CID106357968
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
SMILESCC(C)C(CCO)NC(=O)CS
InChIInChI=1S/C8H17NO2S/c1-6(2)7(3-4-10)9-8(11)5-12/h6-7,10,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyOJBWLQQWNSCSOK-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylsulfonylpropanamide
CID 103852371
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
CID 106349751
6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103708258
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2-(cyanomethylsulfanyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782079
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide (CID 106357968) is N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide is CC(C)C(CCO)NC(=O)CS.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide?
The InChIKey is OJBWLQQWNSCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(2)7(3-4-10)9-8(11)5-12/h6-7,10,12H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide has a molecular weight of 191.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 106357968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).