5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine

C20H42N4O2S — CID 144683467

IUPAC5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine
SMILESCC.CC.CNC(=O)C(C)(C)CC(C)(C)COSN.Cc1ccc(N)nc1
InChIInChI=1S/C10H22N2O2S.C6H8N2.2C2H6/c1-9(2,7-14-15-11)6-10(3,4)8(13)12-5;1-5-2-3-6(7)8-4-5;2*1-2/h6-7,11H2,1-5H3,(H,12,13);2-4H,1H3,(H2,7,8);2*1-2H3
InChIKeyFNKCYRBHYHMRFK-UHFFFAOYSA-N
MW402.65 g/mol
LogP4.74
Rot. Bonds6

About 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine

5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine (PubChem CID 144683467) has the molecular formula C20H42N4O2S and a molecular weight of 402.65 g/mol. Its IUPAC name is 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine.

Molecular Properties

Compound Name5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine
PubChem CID144683467
Molecular FormulaC20H42N4O2S
Molecular Weight402.65 g/mol
Exact Mass402.30
IUPAC Name5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine
SMILESCC.CC.CNC(=O)C(C)(C)CC(C)(C)COSN.Cc1ccc(N)nc1
InChIInChI=1S/C10H22N2O2S.C6H8N2.2C2H6/c1-9(2,7-14-15-11)6-10(3,4)8(13)12-5;1-5-2-3-6(7)8-4-5;2*1-2/h6-7,11H2,1-5H3,(H,12,13);2-4H,1H3,(H2,7,8);2*1-2H3
InChIKeyFNKCYRBHYHMRFK-UHFFFAOYSA-N
XLogP4.74
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,2,2,4-tetramethyl-4-(4-methylphenyl)pentanamide
CID 174300532
ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide
CID 170596976
formonitrile;5-methylpyridin-2-amine
CID 174974730
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
N-methyl-3-(5-methyl-2-pyridinyl)propanamide
CID 15133713
N-tert-butyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
CID 144871417
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
(2R)-2-(2-hydrazinyl-2-methyliminoethyl)-3,3-dimethylbutanoic acid;5-methylpyridin-2-amine
CID 144957396
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
N-ethyl-2,2,4,4-tetramethyl-N'-(5-methyl-2-pyridinyl)pentanediamide
CID 144683469

Frequently Asked Questions

What is the IUPAC name of 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine?
The IUPAC name of 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine (CID 144683467) is 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine.
What is the SMILES notation for 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine?
The canonical SMILES for 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine is CC.CC.CNC(=O)C(C)(C)CC(C)(C)COSN.Cc1ccc(N)nc1.
What is the InChIKey of 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine?
The InChIKey is FNKCYRBHYHMRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.C6H8N2.2C2H6/c1-9(2,7-14-15-11)6-10(3,4)8(13)12-5;1-5-2-3-6(7)8-4-5;2*1-2/h6-7,11H2,1-5H3,(H,12,13);2-4H,1H3,(H2,7,8);2*1-2H3.
What are the key properties of 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine?
5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine has a molecular weight of 402.65 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine is sourced from PubChem (CID 144683467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).