4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide

C14H28N2O3S — CID 91110830

IUPAC4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCCCN1CCOCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-14(16-8-12-20(17,18)13-9-16)4-2-3-5-15-6-10-19-11-7-15/h14H,2-13H2,1H3
InChIKeyRHNGTAUTVPLGBB-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.61
Rot. Bonds6

About 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide

4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 91110830) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID91110830
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCCCN1CCOCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H28N2O3S/c1-14(16-8-12-20(17,18)13-9-16)4-2-3-5-15-6-10-19-11-7-15/h14H,2-13H2,1H3
InChIKeyRHNGTAUTVPLGBB-UHFFFAOYSA-N
XLogP0.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 60914870
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)hexan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 156566263
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
4-(4-methylnonyl)morpholine
CID 170444016
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
CID 144711905
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine
CID 163946304

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide (CID 91110830) is 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide is CC(CCCCN1CCOCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is RHNGTAUTVPLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-14(16-8-12-20(17,18)13-9-16)4-2-3-5-15-6-10-19-11-7-15/h14H,2-13H2,1H3.
What are the key properties of 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 304.46 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylhexan-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 91110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).