2-methyl-N-(2-methylthiolan-3-yl)propanamide

C9H17NOS — CID 130647611

IUPAC2-methyl-N-(2-methylthiolan-3-yl)propanamide
SMILESCC(C)C(=O)NC1CCSC1C
InChIInChI=1S/C9H17NOS/c1-6(2)9(11)10-8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyAIGQJRHFRIYPLZ-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.65
Rot. Bonds2

About 2-methyl-N-(2-methylthiolan-3-yl)propanamide

2-methyl-N-(2-methylthiolan-3-yl)propanamide (PubChem CID 130647611) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylthiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylthiolan-3-yl)propanamide
PubChem CID130647611
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-N-(2-methylthiolan-3-yl)propanamide
SMILESCC(C)C(=O)NC1CCSC1C
InChIInChI=1S/C9H17NOS/c1-6(2)9(11)10-8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyAIGQJRHFRIYPLZ-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
CID 130624332
2-methyl-N-(2-methylsulfanylcyclobutyl)propanamide
CID 130703856
5-bromo-N-(2-methylthiolan-3-yl)furan-2-carboxamide
CID 131142474
2-[(2-methylthian-3-yl)amino]propanamide
CID 79957724
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N-[(1R,2R)-2-methoxycyclopentyl]-2-methylpropanamide
CID 130650913
2-methyl-N-pentan-2-ylthiolan-3-amine
CID 102671361
2-methyl-3-(sulfamoylamino)thiolane
CID 131142743
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylthiolan-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylthiolan-3-yl)propanamide (CID 130647611) is 2-methyl-N-(2-methylthiolan-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylthiolan-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylthiolan-3-yl)propanamide is CC(C)C(=O)NC1CCSC1C.
What is the InChIKey of 2-methyl-N-(2-methylthiolan-3-yl)propanamide?
The InChIKey is AIGQJRHFRIYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(2)9(11)10-8-4-5-12-7(8)3/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methylthiolan-3-yl)propanamide?
2-methyl-N-(2-methylthiolan-3-yl)propanamide has a molecular weight of 187.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylthiolan-3-yl)propanamide is sourced from PubChem (CID 130647611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).