4-[ethyl(2-methoxyethyl)amino]butanethioamide

C9H20N2OS — CID 61448533

IUPAC4-[ethyl(2-methoxyethyl)amino]butanethioamide
SMILESCCN(CCCC(N)=S)CCOC
InChIInChI=1S/C9H20N2OS/c1-3-11(7-8-12-2)6-4-5-9(10)13/h3-8H2,1-2H3,(H2,10,13)
InChIKeyQNHGSCXCCPMDDY-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.02
Rot. Bonds8

About 4-[ethyl(2-methoxyethyl)amino]butanethioamide

4-[ethyl(2-methoxyethyl)amino]butanethioamide (PubChem CID 61448533) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-[ethyl(2-methoxyethyl)amino]butanethioamide.

Molecular Properties

Compound Name4-[ethyl(2-methoxyethyl)amino]butanethioamide
PubChem CID61448533
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-[ethyl(2-methoxyethyl)amino]butanethioamide
SMILESCCN(CCCC(N)=S)CCOC
InChIInChI=1S/C9H20N2OS/c1-3-11(7-8-12-2)6-4-5-9(10)13/h3-8H2,1-2H3,(H2,10,13)
InChIKeyQNHGSCXCCPMDDY-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]propanethioamide
CID 103409810
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methoxyethyl)amino]butanethioamide?
The IUPAC name of 4-[ethyl(2-methoxyethyl)amino]butanethioamide (CID 61448533) is 4-[ethyl(2-methoxyethyl)amino]butanethioamide.
What is the SMILES notation for 4-[ethyl(2-methoxyethyl)amino]butanethioamide?
The canonical SMILES for 4-[ethyl(2-methoxyethyl)amino]butanethioamide is CCN(CCCC(N)=S)CCOC.
What is the InChIKey of 4-[ethyl(2-methoxyethyl)amino]butanethioamide?
The InChIKey is QNHGSCXCCPMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-3-11(7-8-12-2)6-4-5-9(10)13/h3-8H2,1-2H3,(H2,10,13).
What are the key properties of 4-[ethyl(2-methoxyethyl)amino]butanethioamide?
4-[ethyl(2-methoxyethyl)amino]butanethioamide has a molecular weight of 204.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxyethyl)amino]butanethioamide is sourced from PubChem (CID 61448533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).