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

C13H26N2O3S — CID 64797504

IUPAC2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-11(15-5-7-19(17,18)8-6-15)9-13(2,10-16)14-12-3-4-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyIVLDJHUXBLGDEV-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.00
Rot. Bonds6

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

2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol (PubChem CID 64797504) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol
PubChem CID64797504
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-11(15-5-7-19(17,18)8-6-15)9-13(2,10-16)14-12-3-4-12/h11-12,14,16H,3-10H2,1-2H3
InChIKeyIVLDJHUXBLGDEV-UHFFFAOYSA-N
XLogP-0.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol (CID 64797504) is 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol is CC(CC(C)(CO)NC1CC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol?
The InChIKey is IVLDJHUXBLGDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(15-5-7-19(17,18)8-6-15)9-13(2,10-16)14-12-3-4-12/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol?
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol has a molecular weight of 290.43 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol is sourced from PubChem (CID 64797504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).