4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide

C14H29NO2S — CID 138503013

IUPAC4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCCCCCC(C)(CC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H29NO2S/c1-4-6-7-8-9-14(3,5-2)15-10-12-18(16,17)13-11-15/h4-13H2,1-3H3
InChIKeyPXROBNZQJHEOTB-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.86
Rot. Bonds7

About 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide

4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 138503013) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID138503013
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCCCCCC(C)(CC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H29NO2S/c1-4-6-7-8-9-14(3,5-2)15-10-12-18(16,17)13-11-15/h4-13H2,1-3H3
InChIKeyPXROBNZQJHEOTB-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylheptan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 139320074
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol
CID 104549673
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(3-methylheptan-3-yl)piperidine
CID 154999026
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
4-(5-methyldodecan-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 126694881
1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
CID 130272243
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
N,N-diethyl-1-(3-methyloctan-3-yl)pyrrolidin-3-amine
CID 137379854
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
4-(2-methyloctan-2-yl)thiane 1,1-dioxide
CID 130320648
3-methyl-3-piperidin-1-yldecanoic acid
CID 64527597

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide (CID 138503013) is 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide is CCCCCCC(C)(CC)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is PXROBNZQJHEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-6-7-8-9-14(3,5-2)15-10-12-18(16,17)13-11-15/h4-13H2,1-3H3.
What are the key properties of 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide?
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 138503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).