[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol

C15H28N2O3S — CID 79567772

IUPAC[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESO=S1(=O)CCN(CCC2CCCC2(CO)NC2CC2)CC1
InChIInChI=1S/C15H28N2O3S/c18-12-15(16-14-3-4-14)6-1-2-13(15)5-7-17-8-10-21(19,20)11-9-17/h13-14,16,18H,1-12H2
InChIKeyATPGYLSOOYRPSU-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.39
Rot. Bonds6

About [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol

[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (PubChem CID 79567772) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
PubChem CID79567772
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
SMILESO=S1(=O)CCN(CCC2CCCC2(CO)NC2CC2)CC1
InChIInChI=1S/C15H28N2O3S/c18-12-15(16-14-3-4-14)6-1-2-13(15)5-7-17-8-10-21(19,20)11-9-17/h13-14,16,18H,1-12H2
InChIKeyATPGYLSOOYRPSU-UHFFFAOYSA-N
XLogP0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol (CID 79567772) is [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is O=S1(=O)CCN(CCC2CCCC2(CO)NC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
The InChIKey is ATPGYLSOOYRPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c18-12-15(16-14-3-4-14)6-1-2-13(15)5-7-17-8-10-21(19,20)11-9-17/h13-14,16,18H,1-12H2.
What are the key properties of [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol?
[1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol has a molecular weight of 316.47 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79567772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).