ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate

C10H17NO4S — CID 176675254

IUPACethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2CCC(NS(C)(=O)=O)[C@@H]21
InChIInChI=1S/C10H17NO4S/c1-3-15-10(12)9-6-4-5-7(8(6)9)11-16(2,13)14/h6-9,11H,3-5H2,1-2H3/t6-,7?,8-,9+/m1/s1
InChIKeySZMPPAREPPQTPU-BNSCUJALSA-N
MW247.32 g/mol
LogP0.12
Rot. Bonds4

About ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate

ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 176675254) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate
PubChem CID176675254
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Nameethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H]2CCC(NS(C)(=O)=O)[C@@H]21
InChIInChI=1S/C10H17NO4S/c1-3-15-10(12)9-6-4-5-7(8(6)9)11-16(2,13)14/h6-9,11H,3-5H2,1-2H3/t6-,7?,8-,9+/m1/s1
InChIKeySZMPPAREPPQTPU-BNSCUJALSA-N
XLogP0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Related Compounds

ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 76818496
6-ethoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
CID 121455865
ethyl (1R,2R,5R,6R)-2-formylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469534
ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
CID 91001047
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
(1S,6R,7S)-8-ethoxycarbonyltricyclo[4.2.2.02,5]dec-3-ene-7-carboxylic acid
CID 166941552
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate (CID 176675254) is ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)[C@H]1[C@@H]2CCC(NS(C)(=O)=O)[C@@H]21.
What is the InChIKey of ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is SZMPPAREPPQTPU-BNSCUJALSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-15-10(12)9-6-4-5-7(8(6)9)11-16(2,13)14/h6-9,11H,3-5H2,1-2H3/t6-,7?,8-,9+/m1/s1.
What are the key properties of ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R,6S)-2-(methanesulfonamido)bicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 176675254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).