4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide

C17H35NO4S2 — CID 126694881

IUPAC4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
SMILESCCCCCCCC(C)(CCCC)S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H35NO4S2/c1-4-6-8-9-10-12-17(3,11-7-5-2)24(21,22)18-13-15-23(19,20)16-14-18/h4-16H2,1-3H3
InChIKeyYVQAWJRQXKUBSF-UHFFFAOYSA-N
MW381.60 g/mol
LogP3.36
Rot. Bonds11

About 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide

4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 126694881) has the molecular formula C17H35NO4S2 and a molecular weight of 381.60 g/mol. Its IUPAC name is 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
PubChem CID126694881
Molecular FormulaC17H35NO4S2
Molecular Weight381.60 g/mol
Exact Mass381.20
IUPAC Name4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
SMILESCCCCCCCC(C)(CCCC)S(=O)(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H35NO4S2/c1-4-6-8-9-10-12-17(3,11-7-5-2)24(21,22)18-13-15-23(19,20)16-14-18/h4-16H2,1-3H3
InChIKeyYVQAWJRQXKUBSF-UHFFFAOYSA-N
XLogP3.36
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltetradecan-7-ylsulfonyl)piperidine
CID 146587233
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
4-(3-methylheptan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 139320074
3-methyl-3-(3-methylicosan-3-ylsulfonyl)icosane
CID 169224285
4-(2-methyloctan-2-yl)thiane 1,1-dioxide
CID 130320648
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
3-(5-methyldodecan-5-yl)-1-methylsulfonylazetidine
CID 134420427
1-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
1-butylsulfonylbutane;thiolane 1,1-dioxide
CID 170346505
1,1-dibromo-1-(1,1-dibromoheptadecylsulfonyl)heptadecane
CID 87151392
21-undecyltritetracontane-21-sulfonic acid
CID 175161908

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide (CID 126694881) is 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide is CCCCCCCC(C)(CCCC)S(=O)(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is YVQAWJRQXKUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4S2/c1-4-6-8-9-10-12-17(3,11-7-5-2)24(21,22)18-13-15-23(19,20)16-14-18/h4-16H2,1-3H3.
What are the key properties of 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide?
4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 381.60 g/mol, XLogP of 3.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 126694881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).