5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide

C17H30N2O4S — CID 91290764

IUPAC5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide
SMILES[H]/N=C(/CC(=O)NC(=O)C(C)(C)SCCC1CCOC1)C(C)(C)CO
InChIInChI=1S/C17H30N2O4S/c1-16(2,11-20)13(18)9-14(21)19-15(22)17(3,4)24-8-6-12-5-7-23-10-12/h12,18,20H,5-11H2,1-4H3,(H,19,21,22)/b18-13-
InChIKeyXZDBOPNVUIZUSQ-AQTBWJFISA-N
MW358.50 g/mol
LogP2.00
Rot. Bonds9

About 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide

5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide (PubChem CID 91290764) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide
PubChem CID91290764
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC Name5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide
SMILES[H]/N=C(/CC(=O)NC(=O)C(C)(C)SCCC1CCOC1)C(C)(C)CO
InChIInChI=1S/C17H30N2O4S/c1-16(2,11-20)13(18)9-14(21)19-15(22)17(3,4)24-8-6-12-5-7-23-10-12/h12,18,20H,5-11H2,1-4H3,(H,19,21,22)/b18-13-
InChIKeyXZDBOPNVUIZUSQ-AQTBWJFISA-N
XLogP2.00
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-imino-4,4-dimethylpentanoyl)-1-(oxan-4-ylmethyl)azetidine-2-carboxamide
CID 90994904
N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide
CID 143964909
4-methyl-4-[3-(oxolan-3-yl)propanoylamino]pentanoic acid
CID 119357318
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
N-acetyl-3-imino-4,4-dimethyl-5-(oxan-2-yloxy)pentanamide
CID 91447995
N-[3-(aminomethyl)pentan-3-yl]-3-(oxolan-3-yl)propanamide
CID 119570738
N-(2-amino-2-ethylbutyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119642266
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide?
The IUPAC name of 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide (CID 91290764) is 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide.
What is the SMILES notation for 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide?
The canonical SMILES for 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide is [H]/N=C(/CC(=O)NC(=O)C(C)(C)SCCC1CCOC1)C(C)(C)CO.
What is the InChIKey of 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide?
The InChIKey is XZDBOPNVUIZUSQ-AQTBWJFISA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-16(2,11-20)13(18)9-14(21)19-15(22)17(3,4)24-8-6-12-5-7-23-10-12/h12,18,20H,5-11H2,1-4H3,(H,19,21,22)/b18-13-.
What are the key properties of 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide?
5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide has a molecular weight of 358.50 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide is sourced from PubChem (CID 91290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).