N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide

C7H15NO2S — CID 107028266

IUPACN-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
SMILESCC(O)CN(C)C(=O)CCS
InChIInChI=1S/C7H15NO2S/c1-6(9)5-8(2)7(10)3-4-11/h6,9,11H,3-5H2,1-2H3
InChIKeyBZJACUDFWHYBIA-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.15
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide

N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide (PubChem CID 107028266) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
PubChem CID107028266
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
SMILESCC(O)CN(C)C(=O)CCS
InChIInChI=1S/C7H15NO2S/c1-6(9)5-8(2)7(10)3-4-11/h6,9,11H,3-5H2,1-2H3
InChIKeyBZJACUDFWHYBIA-UHFFFAOYSA-N
XLogP0.15
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107022688
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide
CID 18728836

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide (CID 107028266) is N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide is CC(O)CN(C)C(=O)CCS.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide?
The InChIKey is BZJACUDFWHYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(9)5-8(2)7(10)3-4-11/h6,9,11H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide?
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide has a molecular weight of 177.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 107028266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).