N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide

C11H23N3O2S — CID 82104066

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCN(C)C)CCC(N)=S
InChIInChI=1S/C11H23N3O2S/c1-13(2)6-4-7-14(8-5-10(12)17)11(15)9-16-3/h4-9H2,1-3H3,(H2,12,17)
InChIKeyQDQJWKDTSYMBND-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.09
Rot. Bonds9

About N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide

N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide (PubChem CID 82104066) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
PubChem CID82104066
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
SMILESCOCC(=O)N(CCCN(C)C)CCC(N)=S
InChIInChI=1S/C11H23N3O2S/c1-13(2)6-4-7-14(8-5-10(12)17)11(15)9-16-3/h4-9H2,1-3H3,(H2,12,17)
InChIKeyQDQJWKDTSYMBND-UHFFFAOYSA-N
XLogP0.09
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 82104126
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325696
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987
N',N'-bis[3-(dimethylamino)propyl]pentanediamide
CID 141463715
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
2-methoxy-N,N-dipentylacetamide
CID 60776145
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-2-methoxyacetamide
CID 82103917
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide (CID 82104066) is N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide is COCC(=O)N(CCCN(C)C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide?
The InChIKey is QDQJWKDTSYMBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-13(2)6-4-7-14(8-5-10(12)17)11(15)9-16-3/h4-9H2,1-3H3,(H2,12,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide has a molecular weight of 261.39 g/mol, XLogP of 0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide is sourced from PubChem (CID 82104066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).