N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide

C11H21NO4S — CID 113428473

IUPACN-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
SMILESCCC(CCO)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-2-9(6-7-13)12-11(14)10-5-3-4-8-17(10,15)16/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyIFLOIKFUPXRLPE-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.23
Rot. Bonds5

About N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide

N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide (PubChem CID 113428473) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
PubChem CID113428473
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
SMILESCCC(CCO)NC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO4S/c1-2-9(6-7-13)12-11(14)10-5-3-4-8-17(10,15)16/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyIFLOIKFUPXRLPE-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 109478793
N-(4-chlorobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104522465
N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115767243
N-(1-amino-1-hydroxyiminobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104521741
N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
N-(2-amino-1-cyclopentylethyl)-1,1-dioxothiane-2-carboxamide
CID 106737660
(2S)-2-[(1,1-dioxothiane-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820152
N-(4-hydroxybutyl)-1,1-dioxothiane-2-carboxamide
CID 106843204
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiane-2-carboxamide
CID 104920511
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-2-carboxamide
CID 104522379

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide (CID 113428473) is N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide is CCC(CCO)NC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is IFLOIKFUPXRLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-9(6-7-13)12-11(14)10-5-3-4-8-17(10,15)16/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide?
N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 113428473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).