ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol

C14H35NO4S2 — CID 166155063

IUPACethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
SMILESCC.CC.CCOCCCC(=O)NCCS(C)(=O)=O.CS
InChIInChI=1S/C9H19NO4S.2C2H6.CH4S/c1-3-14-7-4-5-9(11)10-6-8-15(2,12)13;3*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3;2H,1H3
InChIKeySKMFSPJHNRUOIF-UHFFFAOYSA-N
MW345.57 g/mol
LogP2.56
Rot. Bonds8

About ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol

ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol (PubChem CID 166155063) has the molecular formula C14H35NO4S2 and a molecular weight of 345.57 g/mol. Its IUPAC name is ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol.

Molecular Properties

Compound Nameethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
PubChem CID166155063
Molecular FormulaC14H35NO4S2
Molecular Weight345.57 g/mol
Exact Mass345.20
IUPAC Nameethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
SMILESCC.CC.CCOCCCC(=O)NCCS(C)(=O)=O.CS
InChIInChI=1S/C9H19NO4S.2C2H6.CH4S/c1-3-14-7-4-5-9(11)10-6-8-15(2,12)13;3*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3;2H,1H3
InChIKeySKMFSPJHNRUOIF-UHFFFAOYSA-N
XLogP2.56
TPSA72.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol 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

4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
4-hydroxy-N-(2-methylsulfonylethyl)butanamide
CID 79192327
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
1-(2-ethoxyethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111896585
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol?
The IUPAC name of ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol (CID 166155063) is ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol.
What is the SMILES notation for ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol?
The canonical SMILES for ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol is CC.CC.CCOCCCC(=O)NCCS(C)(=O)=O.CS.
What is the InChIKey of ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol?
The InChIKey is SKMFSPJHNRUOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S.2C2H6.CH4S/c1-3-14-7-4-5-9(11)10-6-8-15(2,12)13;3*1-2/h3-8H2,1-2H3,(H,10,11);2*1-2H3;2H,1H3.
What are the key properties of ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol?
ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol has a molecular weight of 345.57 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol is sourced from PubChem (CID 166155063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).