N,N-dimethyl-3-(methylsulfanylamino)propanamide

C6H14N2OS — CID 146520704

IUPACN,N-dimethyl-3-(methylsulfanylamino)propanamide
SMILESCSNCCC(=O)N(C)C
InChIInChI=1S/C6H14N2OS/c1-8(2)6(9)4-5-7-10-3/h7H,4-5H2,1-3H3
InChIKeySQWVSPAWPVDOAL-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.33
Rot. Bonds4

About N,N-dimethyl-3-(methylsulfanylamino)propanamide

N,N-dimethyl-3-(methylsulfanylamino)propanamide (PubChem CID 146520704) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(methylsulfanylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(methylsulfanylamino)propanamide
PubChem CID146520704
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC NameN,N-dimethyl-3-(methylsulfanylamino)propanamide
SMILESCSNCCC(=O)N(C)C
InChIInChI=1S/C6H14N2OS/c1-8(2)6(9)4-5-7-10-3/h7H,4-5H2,1-3H3
InChIKeySQWVSPAWPVDOAL-UHFFFAOYSA-N
XLogP0.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
CID 63965989
N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
CID 111344577
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
3-[[(E)-4-chlorobut-2-enyl]amino]-N,N-dimethylpropanamide
CID 81431155
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
4-(ethoxyamino)-N,N-dimethylbutanamide
CID 64974940
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
2-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(methylsulfanylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(methylsulfanylamino)propanamide (CID 146520704) is N,N-dimethyl-3-(methylsulfanylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(methylsulfanylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(methylsulfanylamino)propanamide is CSNCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(methylsulfanylamino)propanamide?
The InChIKey is SQWVSPAWPVDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8(2)6(9)4-5-7-10-3/h7H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(methylsulfanylamino)propanamide?
N,N-dimethyl-3-(methylsulfanylamino)propanamide has a molecular weight of 162.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(methylsulfanylamino)propanamide is sourced from PubChem (CID 146520704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).