3-ethylsulfinyl-2-methylcyclopentan-1-amine

C8H17NOS — CID 64905521

IUPAC3-ethylsulfinyl-2-methylcyclopentan-1-amine
SMILESCCS(=O)C1CCC(N)C1C
InChIInChI=1S/C8H17NOS/c1-3-11(10)8-5-4-7(9)6(8)2/h6-8H,3-5,9H2,1-2H3
InChIKeyXQQNSCVVHDMEPR-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.88
Rot. Bonds2

About 3-ethylsulfinyl-2-methylcyclopentan-1-amine

3-ethylsulfinyl-2-methylcyclopentan-1-amine (PubChem CID 64905521) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-ethylsulfinyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-2-methylcyclopentan-1-amine
PubChem CID64905521
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-ethylsulfinyl-2-methylcyclopentan-1-amine
SMILESCCS(=O)C1CCC(N)C1C
InChIInChI=1S/C8H17NOS/c1-3-11(10)8-5-4-7(9)6(8)2/h6-8H,3-5,9H2,1-2H3
InChIKeyXQQNSCVVHDMEPR-UHFFFAOYSA-N
XLogP0.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758936
3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
CID 64905520
2-ethylsulfinylcyclododecan-1-amine
CID 64653771
2-ethylsulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 64652738
3-(2-bromophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64905718
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64904088
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905529
4-ethyl-2-methylsulfinylcyclohexan-1-amine
CID 64656221
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide
CID 114232694
2-methyl-3-propylsulfanylcyclopentan-1-amine
CID 64905956
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-ethylsulfinyl-2-methylcyclopentan-1-amine (CID 64905521) is 3-ethylsulfinyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-2-methylcyclopentan-1-amine is CCS(=O)C1CCC(N)C1C.
What is the InChIKey of 3-ethylsulfinyl-2-methylcyclopentan-1-amine?
The InChIKey is XQQNSCVVHDMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-11(10)8-5-4-7(9)6(8)2/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 3-ethylsulfinyl-2-methylcyclopentan-1-amine?
3-ethylsulfinyl-2-methylcyclopentan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64905521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).