N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide

C14H29N3O3S — CID 82961286

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
SMILESCCOCCN(CCOCC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H29N3O3S/c1-4-19-10-8-17(9-11-20-5-2)12-14(18)16(3)7-6-13(15)21/h4-12H2,1-3H3,(H2,15,21)
InChIKeyZQOKTOFPJCWTNH-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.50
Rot. Bonds13

About N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide (PubChem CID 82961286) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
PubChem CID82961286
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
SMILESCCOCCN(CCOCC)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C14H29N3O3S/c1-4-19-10-8-17(9-11-20-5-2)12-14(18)16(3)7-6-13(15)21/h4-12H2,1-3H3,(H2,15,21)
InChIKeyZQOKTOFPJCWTNH-UHFFFAOYSA-N
XLogP0.50
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63285324
2-[[2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2-oxoethyl]-ethylamino]-N-methylacetamide
CID 54948154
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide (CID 82961286) is N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide is CCOCCN(CCOCC)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide?
The InChIKey is ZQOKTOFPJCWTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-4-19-10-8-17(9-11-20-5-2)12-14(18)16(3)7-6-13(15)21/h4-12H2,1-3H3,(H2,15,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide has a molecular weight of 319.47 g/mol, XLogP of 0.50, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide is sourced from PubChem (CID 82961286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).