(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol

C8H16N2O3S — CID 123415162

IUPAC(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol
SMILESO=S1(=O)CCCC2CN1C(CO)CN2
InChIInChI=1S/C8H16N2O3S/c11-6-8-4-9-7-2-1-3-14(12,13)10(8)5-7/h7-9,11H,1-6H2
InChIKeyFVLRSIXFGSQBDV-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.26
Rot. Bonds1

About (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol

(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol (PubChem CID 123415162) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol.

Molecular Properties

Compound Name(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol
PubChem CID123415162
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol
SMILESO=S1(=O)CCCC2CN1C(CO)CN2
InChIInChI=1S/C8H16N2O3S/c11-6-8-4-9-7-2-1-3-14(12,13)10(8)5-7/h7-9,11H,1-6H2
InChIKeyFVLRSIXFGSQBDV-UHFFFAOYSA-N
XLogP-1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]cyclohexan-1-amine
CID 123333590
10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide
CID 126685475
8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
CID 118373745
(2S)-2-amino-N-[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]-3,3-bis(4-fluorophenyl)propanamide
CID 118373716
10-(hydroxymethyl)-2,2-dioxo-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane-8-carboxylic acid
CID 118366706
[1-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]amino]-3,3-bis(4-fluorophenyl)-1-oxopropan-2-yl]carbamic acid
CID 138541231
2-amino-3-(4-cyclopropylphenyl)-N-[2-[2-(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]-3-(4-fluorophenyl)propanamide
CID 138540878
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(1R,2R)-2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]-4-(4-methoxycyclohexyl)butan-2-one
CID 147228375
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3,6-difluorophenyl]-4-(oxan-4-yl)butan-2-one
CID 148762100
8-(hydroxymethyl)-2,2-dioxo-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane-6-carboxylic acid
CID 118366692
(3S,4R)-3-amino-1-[2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]-4-(4-fluorophenyl)-4-(1-methylsulfonylpiperidin-4-yl)butan-2-one
CID 148744182
[(1S,2S)-1-(3,5-difluorophenyl)-3-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclopentyl]amino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamic acid
CID 126664481

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol?
The IUPAC name of (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol (CID 123415162) is (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol.
What is the SMILES notation for (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol?
The canonical SMILES for (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol is O=S1(=O)CCCC2CN1C(CO)CN2.
What is the InChIKey of (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol?
The InChIKey is FVLRSIXFGSQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-6-8-4-9-7-2-1-3-14(12,13)10(8)5-7/h7-9,11H,1-6H2.
What are the key properties of (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol?
(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol has a molecular weight of 220.29 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol is sourced from PubChem (CID 123415162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).