4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide

C10H22N2O2S — CID 23187631

IUPAC4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide
SMILESCN(C)CCCC(=O)NCCOCCS
InChIInChI=1S/C10H22N2O2S/c1-12(2)6-3-4-10(13)11-5-7-14-8-9-15/h15H,3-9H2,1-2H3,(H,11,13)
InChIKeyOSAHJXXPSFSMNM-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.39
Rot. Bonds9

About 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide

4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide (PubChem CID 23187631) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide
PubChem CID23187631
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide
SMILESCN(C)CCCC(=O)NCCOCCS
InChIInChI=1S/C10H22N2O2S/c1-12(2)6-3-4-10(13)11-5-7-14-8-9-15/h15H,3-9H2,1-2H3,(H,11,13)
InChIKeyOSAHJXXPSFSMNM-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59356233
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CID 154676723
CID 154676723
CID 169950566
CID 169950566
CID 107027119
CID 107027119
CID 2734193
CID 2734193
CID 19373946
CID 19373946
CID 19373965
CID 19373965
CID 19607273
CID 19607273
CID 19607280
CID 19607280
CID 19607302
CID 19607302
CID 19607307
CID 19607307
CID 21299924
CID 21299924

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide (CID 23187631) is 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide is CN(C)CCCC(=O)NCCOCCS.
What is the InChIKey of 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
The InChIKey is OSAHJXXPSFSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-12(2)6-3-4-10(13)11-5-7-14-8-9-15/h15H,3-9H2,1-2H3,(H,11,13).
What are the key properties of 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide?
4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide has a molecular weight of 234.36 g/mol, XLogP of 0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(2-sulfanylethoxy)ethyl]butanamide is sourced from PubChem (CID 23187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).