methane;methanethiol;N-(methylaminomethyl)propanamide

C7H20N2OS — CID 143701183

IUPACmethane;methanethiol;N-(methylaminomethyl)propanamide
SMILESC.CCC(=O)NCNC.CS
InChIInChI=1S/C5H12N2O.CH4S.CH4/c1-3-5(8)7-4-6-2;1-2;/h6H,3-4H2,1-2H3,(H,7,8);2H,1H3;1H4
InChIKeyVPGOGKSJZCJHKR-UHFFFAOYSA-N
MW180.32 g/mol
LogP0.87
Rot. Bonds3

About methane;methanethiol;N-(methylaminomethyl)propanamide

methane;methanethiol;N-(methylaminomethyl)propanamide (PubChem CID 143701183) has the molecular formula C7H20N2OS and a molecular weight of 180.32 g/mol. Its IUPAC name is methane;methanethiol;N-(methylaminomethyl)propanamide.

Molecular Properties

Compound Namemethane;methanethiol;N-(methylaminomethyl)propanamide
PubChem CID143701183
Molecular FormulaC7H20N2OS
Molecular Weight180.32 g/mol
Exact Mass180.13
IUPAC Namemethane;methanethiol;N-(methylaminomethyl)propanamide
SMILESC.CCC(=O)NCNC.CS
InChIInChI=1S/C5H12N2O.CH4S.CH4/c1-3-5(8)7-4-6-2;1-2;/h6H,3-4H2,1-2H3,(H,7,8);2H,1H3;1H4
InChIKeyVPGOGKSJZCJHKR-UHFFFAOYSA-N
XLogP0.87
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(methylaminomethylamino)-3-oxopropanoate
CID 59283319
S-[2-oxo-2-[(propanoylamino)methylamino]ethyl] ethanethioate
CID 22961916
acetylene;N-ethylpropanamide
CID 143477358
ethane;methanethiol;N-nonylpropanamide
CID 177150000
N-methylpropanamide;propane
CID 91316585
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
N-(2-oxopropyl)propanamide
CID 23550155
2-(methylamino)-N-[2-oxo-2-(2-oxobutylamino)ethyl]acetamide
CID 175620098
N-ethylpropanamide tetrafluoroborate
CID 88753462
N-(2-phosphanylethyl)propanamide
CID 146644677
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
ethanamine;ethane;N-ethylpropanamide
CID 157433415

Frequently Asked Questions

What is the IUPAC name of methane;methanethiol;N-(methylaminomethyl)propanamide?
The IUPAC name of methane;methanethiol;N-(methylaminomethyl)propanamide (CID 143701183) is methane;methanethiol;N-(methylaminomethyl)propanamide.
What is the SMILES notation for methane;methanethiol;N-(methylaminomethyl)propanamide?
The canonical SMILES for methane;methanethiol;N-(methylaminomethyl)propanamide is C.CCC(=O)NCNC.CS.
What is the InChIKey of methane;methanethiol;N-(methylaminomethyl)propanamide?
The InChIKey is VPGOGKSJZCJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.CH4S.CH4/c1-3-5(8)7-4-6-2;1-2;/h6H,3-4H2,1-2H3,(H,7,8);2H,1H3;1H4.
What are the key properties of methane;methanethiol;N-(methylaminomethyl)propanamide?
methane;methanethiol;N-(methylaminomethyl)propanamide has a molecular weight of 180.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanethiol;N-(methylaminomethyl)propanamide is sourced from PubChem (CID 143701183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).