3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine

C9H19NOS — CID 64905520

IUPAC3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCCS(=O)C1CCC(NC)C1C
InChIInChI=1S/C9H19NOS/c1-4-12(11)9-6-5-8(10-3)7(9)2/h7-10H,4-6H2,1-3H3
InChIKeyAJNNPFCXNZKDOX-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.14
Rot. Bonds3

About 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine

3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64905520) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64905520
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
SMILESCCS(=O)C1CCC(NC)C1C
InChIInChI=1S/C9H19NOS/c1-4-12(11)9-6-5-8(10-3)7(9)2/h7-10H,4-6H2,1-3H3
InChIKeyAJNNPFCXNZKDOX-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine (CID 64905520) is 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine is CCS(=O)C1CCC(NC)C1C.
What is the InChIKey of 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is AJNNPFCXNZKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-12(11)9-6-5-8(10-3)7(9)2/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine?
3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64905520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).