(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol

C8H15NO3S — CID 131154644

IUPAC(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
SMILESCCS(=O)(=O)N1CC2CC2(CO)C1
InChIInChI=1S/C8H15NO3S/c1-2-13(11,12)9-4-7-3-8(7,5-9)6-10/h7,10H,2-6H2,1H3
InChIKeySVCZWIGVVLZRCJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.35
Rot. Bonds3

About (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol

(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol (PubChem CID 131154644) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol.

Molecular Properties

Compound Name(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
PubChem CID131154644
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
SMILESCCS(=O)(=O)N1CC2CC2(CO)C1
InChIInChI=1S/C8H15NO3S/c1-2-13(11,12)9-4-7-3-8(7,5-9)6-10/h7,10H,2-6H2,1H3
InChIKeySVCZWIGVVLZRCJ-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(trimethylsilylmethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
CID 130617110
[(3aS,7aR)-2-methylsulfonyl-3,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3a-yl]methanol;hydrochloride
CID 146050543
(3aS,6aR)-2-butylsulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679273
[(3aR,7aR)-2-(4-pentylphenyl)sulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137336326
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327
1-ethylsulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 63719633
[(3aS,7aR)-2-(2,4-dichloro-3-methylphenyl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811646
[(3aS,7aR)-2-(3-chloro-2-methylphenyl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154812049
[(3aS,7aR)-5-[(4-chlorophenyl)methyl]-2-methylsulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3a-yl]methanol
CID 173262656
(3aS,6aR)-2-(2-methylbutylsulfonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679649
(3aR,6aR)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-ethylsulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133115583
[3a-(hydroxymethyl)-2-methylsulfonyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 171142809

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The IUPAC name of (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol (CID 131154644) is (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol.
What is the SMILES notation for (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The canonical SMILES for (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol is CCS(=O)(=O)N1CC2CC2(CO)C1.
What is the InChIKey of (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The InChIKey is SVCZWIGVVLZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-13(11,12)9-4-7-3-8(7,5-9)6-10/h7,10H,2-6H2,1H3.
What are the key properties of (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
(3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol has a molecular weight of 205.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol is sourced from PubChem (CID 131154644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).