6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C14H30N2O3S — CID 64797715

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H30N2O3S/c1-13(2)15-14(3,12-17)6-4-5-7-16-8-10-20(18,19)11-9-16/h13,15,17H,4-12H2,1-3H3
InChIKeyYHPDLATXIBTGTG-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.64
Rot. Bonds8

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64797715) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64797715
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H30N2O3S/c1-13(2)15-14(3,12-17)6-4-5-7-16-8-10-20(18,19)11-9-16/h13,15,17H,4-12H2,1-3H3
InChIKeyYHPDLATXIBTGTG-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64797715) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is YHPDLATXIBTGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-13(2)15-14(3,12-17)6-4-5-7-16-8-10-20(18,19)11-9-16/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 306.47 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64797715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).