N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide

C9H19NO2S — CID 107024756

IUPACN-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESCCCCN(CCO)C(=O)CCS
InChIInChI=1S/C9H19NO2S/c1-2-3-5-10(6-7-11)9(12)4-8-13/h11,13H,2-8H2,1H3
InChIKeyBMIPFBQRSDXOPT-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.93
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide

N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 107024756) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID107024756
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESCCCCN(CCO)C(=O)CCS
InChIInChI=1S/C9H19NO2S/c1-2-3-5-10(6-7-11)9(12)4-8-13/h11,13H,2-8H2,1H3
InChIKeyBMIPFBQRSDXOPT-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.93
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

N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylpropanamide
CID 107494885
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-2-sulfanylbutanamide
CID 107494891
N-(2-hydroxyethyl)-2-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107494900
N-(2-hydroxyethyl)-3-methyl-2-sulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107494906
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 11105687
N,N-bis(2-hydroxyethyl)-4-sulfanylbutanamide
CID 17882732
N-ethyl-N-(2-hydroxyethyl)butanamide
CID 24284531
N-butyl-N-(2-hydroxyethyl)propanamide
CID 45122923
N-(2-Hydroxyethyl)-N-propylbutanamide
CID 45122924
N-butyl-N-(2-hydroxyethyl)butanamide
CID 53639693
N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
CID 54014173

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide (CID 107024756) is N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide is CCCCN(CCO)C(=O)CCS.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is BMIPFBQRSDXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-5-10(6-7-11)9(12)4-8-13/h11,13H,2-8H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107024756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).