N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide

C9H17NO2S — CID 107033647

IUPACN-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C9H17NO2S/c1-6-8(4-5-12-6)10(3)9(11)7(2)13/h6-8,13H,4-5H2,1-3H3
InChIKeyBYHXHYCPOLJPMB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.94
Rot. Bonds2

About N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide

N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide (PubChem CID 107033647) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
PubChem CID107033647
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C9H17NO2S/c1-6-8(4-5-12-6)10(3)9(11)7(2)13/h6-8,13H,4-5H2,1-3H3
InChIKeyBYHXHYCPOLJPMB-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738020
3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
5-amino-N-methyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82853868
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 82741951
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide (CID 107033647) is N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide is CC(S)C(=O)N(C)C1CCOC1C.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
The InChIKey is BYHXHYCPOLJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6-8(4-5-12-6)10(3)9(11)7(2)13/h6-8,13H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide?
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107033647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).