2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol

C10H21NO3S — CID 116816702

IUPAC2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)N1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(2)7-10(8-12)11-5-3-4-6-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyRQVZHDICWXAMKV-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds4

About 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol

2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol (PubChem CID 116816702) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol
PubChem CID116816702
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)N1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-9(2)7-10(8-12)11-5-3-4-6-15(11,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyRQVZHDICWXAMKV-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,1-dioxothiazinan-2-yl)-3-phenylpropan-1-ol
CID 114010346
ethane;2-propan-2-ylthiazinane 1,1-dioxide
CID 164956679
2-(azepan-1-yl)-4-methylpentan-1-ol
CID 104549268
2-(4-methylpent-1-yn-3-yl)thiazinane 1,1-dioxide
CID 130481421
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentan-1-ol
CID 106353513
2-(1,1-dioxothiazinan-2-yl)pentanoic acid
CID 116814416
3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
CID 43361089
(2S)-2-N-[(2S)-2-(1,1-dioxothiazinan-2-yl)propyl]-3-methylbutane-1,2-diamine
CID 129117753
4-methyl-2-pyrrol-1-ylpentan-1-ol
CID 104549267
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylpropan-1-amine
CID 130158324
4-[3-[1-(1,1-dioxothiazinan-2-yl)ethyl]phenyl]but-3-yn-1-ol
CID 116816647
1-(1-hydroxy-4-methylpentan-2-yl)imidazolidin-2-one
CID 104549237

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol (CID 116816702) is 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol is CC(C)CC(CO)N1CCCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol?
The InChIKey is RQVZHDICWXAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)7-10(8-12)11-5-3-4-6-15(11,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol?
2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 116816702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).