2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C10H21N3O2S — CID 63285324

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CCC(N)=S)CC(=O)N(C)C
InChIInChI=1S/C10H21N3O2S/c1-12(2)10(14)8-13(6-7-15-3)5-4-9(11)16/h4-8H2,1-3H3,(H2,11,16)
InChIKeyHICDXVCCOCNRHN-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.30
Rot. Bonds8

About 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 63285324) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID63285324
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CCC(N)=S)CC(=O)N(C)C
InChIInChI=1S/C10H21N3O2S/c1-12(2)10(14)8-13(6-7-15-3)5-4-9(11)16/h4-8H2,1-3H3,(H2,11,16)
InChIKeyHICDXVCCOCNRHN-UHFFFAOYSA-N
XLogP-0.30
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.30
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

methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 63285116
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
CID 63285065
2-[bis(2-methoxyethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908702
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 63285324) is 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CCC(N)=S)CC(=O)N(C)C.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is HICDXVCCOCNRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-12(2)10(14)8-13(6-7-15-3)5-4-9(11)16/h4-8H2,1-3H3,(H2,11,16).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 247.36 g/mol, XLogP of -0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63285324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).