1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid

C8H13NO2S — CID 142261608

IUPAC1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)C12SN
InChIInChI=1S/C8H13NO2S/c1-4-2-3-5-6(7(10)11)8(4,5)12-9/h4-6H,2-3,9H2,1H3,(H,10,11)
InChIKeyUHWSKDFOEOMCNR-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.09
Rot. Bonds2

About 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid

1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 142261608) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID142261608
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC1CCC2C(C(=O)O)C12SN
InChIInChI=1S/C8H13NO2S/c1-4-2-3-5-6(7(10)11)8(4,5)12-9/h4-6H,2-3,9H2,1H3,(H,10,11)
InChIKeyUHWSKDFOEOMCNR-UHFFFAOYSA-N
XLogP1.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
(1S,2R,5R)-6,6-difluorobicyclo[3.1.0]hexane-2-carboxylic acid
CID 166000589
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513
(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 73357649
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 18330854
trans-(1S,3S)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674236
cis-(1S,3R)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674234
propan-2-amine;(3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 54020889

Frequently Asked Questions

What is the IUPAC name of 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid (CID 142261608) is 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid is CC1CCC2C(C(=O)O)C12SN.
What is the InChIKey of 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is UHWSKDFOEOMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-2-3-5-6(7(10)11)8(4,5)12-9/h4-6H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 187.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminosulfanyl-2-methylbicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 142261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).