N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide

C10H22N4OS — CID 111344577

IUPACN,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCSC)NCCC(=O)N(C)C
InChIInChI=1S/C10H22N4OS/c1-11-10(13-7-8-16-4)12-6-5-9(15)14(2)3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyBYIASYDOVFNRJY-UHFFFAOYSA-N
MW246.38 g/mol
LogP-0.01
Rot. Bonds6

About N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide

N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide (PubChem CID 111344577) has the molecular formula C10H22N4OS and a molecular weight of 246.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
PubChem CID111344577
Molecular FormulaC10H22N4OS
Molecular Weight246.38 g/mol
Exact Mass246.15
IUPAC NameN,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCSC)NCCC(=O)N(C)C
InChIInChI=1S/C10H22N4OS/c1-11-10(13-7-8-16-4)12-6-5-9(15)14(2)3/h5-8H2,1-4H3,(H2,11,12,13)
InChIKeyBYIASYDOVFNRJY-UHFFFAOYSA-N
XLogP-0.01
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide
CID 111627740
N,N-dimethyl-3-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111178184
3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111345278
N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
CID 111942467
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111346329
N,N-dimethyl-4-[[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111346125
N,N-dimethyl-3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111134186
N,N-dimethyl-3-[[N'-methyl-N-(3-methylsulfanylcyclopentyl)carbamimidoyl]amino]propanamide
CID 111529367
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111611514
2-methyl-1-(2-methylsulfanylethyl)-3-(2-methylsulfonylethyl)guanidine
CID 111343719
3-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111649079
2-methyl-1-(2-methylsulfanylethyl)-3-pentylguanidine
CID 111129165

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide (CID 111344577) is N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide is C/N=C(\NCCSC)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide?
The InChIKey is BYIASYDOVFNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4OS/c1-11-10(13-7-8-16-4)12-6-5-9(15)14(2)3/h5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide?
N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide has a molecular weight of 246.38 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111344577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).