4-(3-methylbutyl)thiane 1,1-dioxide

C10H20O2S — CID 155094619

IUPAC4-(3-methylbutyl)thiane 1,1-dioxide
SMILESCC(C)CCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h9-10H,3-8H2,1-2H3
InChIKeyGHLRPNWIJKUXHN-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.25
Rot. Bonds3

About 4-(3-methylbutyl)thiane 1,1-dioxide

4-(3-methylbutyl)thiane 1,1-dioxide (PubChem CID 155094619) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-(3-methylbutyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-methylbutyl)thiane 1,1-dioxide
PubChem CID155094619
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4-(3-methylbutyl)thiane 1,1-dioxide
SMILESCC(C)CCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h9-10H,3-8H2,1-2H3
InChIKeyGHLRPNWIJKUXHN-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
3-(4-methylpentyl)thietane 1,1-dioxide
CID 159685138
2-methyl-1-[4-(3-methylbutyl)cyclohexyl]propan-1-one
CID 158556884
O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104683
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
3-(3-methylbutyl)cyclobutan-1-one
CID 67500687
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
CID 105331286
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176604731

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)thiane 1,1-dioxide?
The IUPAC name of 4-(3-methylbutyl)thiane 1,1-dioxide (CID 155094619) is 4-(3-methylbutyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(3-methylbutyl)thiane 1,1-dioxide?
The canonical SMILES for 4-(3-methylbutyl)thiane 1,1-dioxide is CC(C)CCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-methylbutyl)thiane 1,1-dioxide?
The InChIKey is GHLRPNWIJKUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-9(2)3-4-10-5-7-13(11,12)8-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)thiane 1,1-dioxide?
4-(3-methylbutyl)thiane 1,1-dioxide has a molecular weight of 204.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)thiane 1,1-dioxide is sourced from PubChem (CID 155094619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).