2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C11H22N2O3S — CID 102887301

IUPAC2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)(=O)CCN1CC(N)(CO)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-9-6-17(15,16)5-4-13(9)7-11(12,8-14)10-2-3-10/h9-10,14H,2-8,12H2,1H3
InChIKeyAUWSZZSWBYBKEW-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.79
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 102887301) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID102887301
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)(=O)CCN1CC(N)(CO)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-9-6-17(15,16)5-4-13(9)7-11(12,8-14)10-2-3-10/h9-10,14H,2-8,12H2,1H3
InChIKeyAUWSZZSWBYBKEW-UHFFFAOYSA-N
XLogP-0.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 102887301) is 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is CC1CS(=O)(=O)CCN1CC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is AUWSZZSWBYBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-6-17(15,16)5-4-13(9)7-11(12,8-14)10-2-3-10/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 262.37 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 102887301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).