3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide

C13H26N2OS — CID 79490067

IUPAC3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide
SMILESCCC(CC)N(CC(C)C)C(=O)C(C)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-6-11(7-2)15(8-9(3)4)13(16)10(5)12(14)17/h9-11H,6-8H2,1-5H3,(H2,14,17)
InChIKeyBTMYWEZWDAIHJJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide

3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide (PubChem CID 79490067) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide
PubChem CID79490067
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide
SMILESCCC(CC)N(CC(C)C)C(=O)C(C)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-6-11(7-2)15(8-9(3)4)13(16)10(5)12(14)17/h9-11H,6-8H2,1-5H3,(H2,14,17)
InChIKeyBTMYWEZWDAIHJJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79483073
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
CID 80594392
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
CID 79491699
cis-(1R,3S)-3-amino-N-(2-methylpropyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 97159337

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide (CID 79490067) is 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide is CCC(CC)N(CC(C)C)C(=O)C(C)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide?
The InChIKey is BTMYWEZWDAIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-6-11(7-2)15(8-9(3)4)13(16)10(5)12(14)17/h9-11H,6-8H2,1-5H3,(H2,14,17).
What are the key properties of 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide?
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide has a molecular weight of 258.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide is sourced from PubChem (CID 79490067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).