N-(1-methylsulfanylhexan-2-yl)acetamide

C9H19NOS — CID 20559067

IUPACN-(1-methylsulfanylhexan-2-yl)acetamide
SMILESCCCCC(CSC)NC(C)=O
InChIInChI=1S/C9H19NOS/c1-4-5-6-9(7-12-3)10-8(2)11/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyAIIMEXYFJYLTTC-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.04
Rot. Bonds6

About N-(1-methylsulfanylhexan-2-yl)acetamide

N-(1-methylsulfanylhexan-2-yl)acetamide (PubChem CID 20559067) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(1-methylsulfanylhexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfanylhexan-2-yl)acetamide
PubChem CID20559067
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(1-methylsulfanylhexan-2-yl)acetamide
SMILESCCCCC(CSC)NC(C)=O
InChIInChI=1S/C9H19NOS/c1-4-5-6-9(7-12-3)10-8(2)11/h9H,4-7H2,1-3H3,(H,10,11)
InChIKeyAIIMEXYFJYLTTC-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methylsulfanylhexan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentadecan-4-ylacetamide
CID 87419548
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
(3S)-3-acetamidononanoic acid
CID 2195186
N-hexan-2-ylacetamide;methane
CID 161054772
1-methylsulfanylheptan-3-ylcarbamic acid
CID 155346909
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
N-[2-(octan-4-ylamino)ethyl]acetamide
CID 102673471
(2R)-2-acetamidohexanoate
CID 6995105
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
methyl 2-(1-methylsulfanylbutan-2-ylamino)hexanoate
CID 103912134
N-(6-ethyldecan-5-yl)acetamide
CID 88504383

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylhexan-2-yl)acetamide?
The IUPAC name of N-(1-methylsulfanylhexan-2-yl)acetamide (CID 20559067) is N-(1-methylsulfanylhexan-2-yl)acetamide.
What is the SMILES notation for N-(1-methylsulfanylhexan-2-yl)acetamide?
The canonical SMILES for N-(1-methylsulfanylhexan-2-yl)acetamide is CCCCC(CSC)NC(C)=O.
What is the InChIKey of N-(1-methylsulfanylhexan-2-yl)acetamide?
The InChIKey is AIIMEXYFJYLTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-5-6-9(7-12-3)10-8(2)11/h9H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(1-methylsulfanylhexan-2-yl)acetamide?
N-(1-methylsulfanylhexan-2-yl)acetamide has a molecular weight of 189.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylhexan-2-yl)acetamide is sourced from PubChem (CID 20559067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).