N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide

C11H21NO4S — CID 103862378

IUPACN-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(7-13)3-2-5-12-11(14)10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyWSIGDMIOMFHQHF-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.05
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide

N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 103862378) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID103862378
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-9(7-13)3-2-5-12-11(14)10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyWSIGDMIOMFHQHF-UHFFFAOYSA-N
XLogP-0.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-(3-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64904761
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiane-2-carboxamide
CID 104920511
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358
N-(6-methylheptan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 134035787
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 113258709
N-(4-bromobutan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 83178660

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide (CID 103862378) is N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide is CC(CO)CCCNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WSIGDMIOMFHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(7-13)3-2-5-12-11(14)10-4-6-17(15,16)8-10/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 103862378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).