2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol

C14H28N2O3S — CID 64797502

IUPAC2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCN1CCS(=O)(=O)CC1)NC1CC1
InChIInChI=1S/C14H28N2O3S/c1-14(12-17,15-13-4-5-13)6-2-3-7-16-8-10-20(18,19)11-9-16/h13,15,17H,2-12H2,1H3
InChIKeyDGRRCACZBJSEOM-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.39
Rot. Bonds8

About 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol

2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol (PubChem CID 64797502) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol
PubChem CID64797502
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCN1CCS(=O)(=O)CC1)NC1CC1
InChIInChI=1S/C14H28N2O3S/c1-14(12-17,15-13-4-5-13)6-2-3-7-16-8-10-20(18,19)11-9-16/h13,15,17H,2-12H2,1H3
InChIKeyDGRRCACZBJSEOM-UHFFFAOYSA-N
XLogP0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.39
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 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol (CID 64797502) is 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol is CC(CO)(CCCCN1CCS(=O)(=O)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol?
The InChIKey is DGRRCACZBJSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-14(12-17,15-13-4-5-13)6-2-3-7-16-8-10-20(18,19)11-9-16/h13,15,17H,2-12H2,1H3.
What are the key properties of 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol?
2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 64797502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).