N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide

C11H21NO4S — CID 113258709

IUPACN-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-8(2)5-10(13)6-12-11(14)9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyFBFJORUEEBSNIK-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.06
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide

N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 113258709) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID113258709
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-8(2)5-10(13)6-12-11(14)9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyFBFJORUEEBSNIK-UHFFFAOYSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353310
N-(2-hydroxy-4-methylpentyl)oxolane-3-carboxamide
CID 103770925
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-(6-methylheptan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 134035787
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 103862378
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911
tert-butyl N-[(2S)-3-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 95620427
1,1-dioxo-N-(3-oxobutan-2-yl)thiolane-3-carboxamide
CID 64997033

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide (CID 113258709) is N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide is CC(C)CC(O)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is FBFJORUEEBSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)5-10(13)6-12-11(14)9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 113258709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).