N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide

C10H20N2O2S — CID 103020271

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C10H20N2O2S/c1-10(2,14-4)7-9(13)12(3)6-5-8(11)15/h5-7H2,1-4H3,(H2,11,15)
InChIKeyFLSIJKCVECTHRV-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.94
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide

N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103020271) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103020271
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C10H20N2O2S/c1-10(2,14-4)7-9(13)12(3)6-5-8(11)15/h5-7H2,1-4H3,(H2,11,15)
InChIKeyFLSIJKCVECTHRV-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-3-methoxy-N,3-dimethylbutanamide
CID 103021642
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793
3-methoxy-3-methylbutanethioamide
CID 123631110
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63983390
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-sulfanylidenepropyl)-N-methylnonanamide
CID 65449539
4-methoxy-4-methylpentanethioamide
CID 103033672
N-[(3-carbamothioylphenyl)methyl]-3-methoxy-N,3-dimethylbutanamide
CID 103020413
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(dimethylamino)propyl-methylamino]-N-methylpropanamide
CID 55225987
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
CID 106201796

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide (CID 103020271) is N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is FLSIJKCVECTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2,14-4)7-9(13)12(3)6-5-8(11)15/h5-7H2,1-4H3,(H2,11,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 232.35 g/mol, XLogP of 0.94, 6 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)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103020271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).