N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide

C12H24N2O2S — CID 82104101

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCN(CCC(N)=S)C(=O)C(C)C
InChIInChI=1S/C12H24N2O2S/c1-4-16-9-5-7-14(8-6-11(13)17)12(15)10(2)3/h10H,4-9H2,1-3H3,(H2,13,17)
InChIKeyXGUHOXAYCDTYHF-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.57
Rot. Bonds9

About N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide (PubChem CID 82104101) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
PubChem CID82104101
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
SMILESCCOCCCN(CCC(N)=S)C(=O)C(C)C
InChIInChI=1S/C12H24N2O2S/c1-4-16-9-5-7-14(8-6-11(13)17)12(15)10(2)3/h10H,4-9H2,1-3H3,(H2,13,17)
InChIKeyXGUHOXAYCDTYHF-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-(3-methoxypropyl)propanamide
CID 82103541
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 82104126
3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
CID 65175458
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-2-ethyl-N-(3-methylbutyl)butanamide
CID 82104235
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
CID 82104231
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
CID 82103796

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide (CID 82104101) is N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide is CCOCCCN(CCC(N)=S)C(=O)C(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide?
The InChIKey is XGUHOXAYCDTYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-16-9-5-7-14(8-6-11(13)17)12(15)10(2)3/h10H,4-9H2,1-3H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide has a molecular weight of 260.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 82104101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).