2-methyl-3-pentylsulfinylcyclopentan-1-amine

C11H23NOS — CID 107758936

IUPAC2-methyl-3-pentylsulfinylcyclopentan-1-amine
SMILESCCCCCS(=O)C1CCC(N)C1C
InChIInChI=1S/C11H23NOS/c1-3-4-5-8-14(13)11-7-6-10(12)9(11)2/h9-11H,3-8,12H2,1-2H3
InChIKeyGCSXRNUBQCGROU-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-3-pentylsulfinylcyclopentan-1-amine

2-methyl-3-pentylsulfinylcyclopentan-1-amine (PubChem CID 107758936) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-3-pentylsulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-pentylsulfinylcyclopentan-1-amine
PubChem CID107758936
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-3-pentylsulfinylcyclopentan-1-amine
SMILESCCCCCS(=O)C1CCC(N)C1C
InChIInChI=1S/C11H23NOS/c1-3-4-5-8-14(13)11-7-6-10(12)9(11)2/h9-11H,3-8,12H2,1-2H3
InChIKeyGCSXRNUBQCGROU-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfinyl-2-methylcyclopentan-1-amine
CID 64905521
N-ethyl-2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758842
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
3-butylsulfinyloxan-4-amine
CID 64653727
(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
CID 107766846
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
N-methyl-3-pentylsulfinyloxan-4-amine
CID 107759006
1-heptadecylsulfinylheptadecane
CID 54059826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentylsulfinylcyclopentan-1-amine?
The IUPAC name of 2-methyl-3-pentylsulfinylcyclopentan-1-amine (CID 107758936) is 2-methyl-3-pentylsulfinylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-pentylsulfinylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-pentylsulfinylcyclopentan-1-amine is CCCCCS(=O)C1CCC(N)C1C.
What is the InChIKey of 2-methyl-3-pentylsulfinylcyclopentan-1-amine?
The InChIKey is GCSXRNUBQCGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-4-5-8-14(13)11-7-6-10(12)9(11)2/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-methyl-3-pentylsulfinylcyclopentan-1-amine?
2-methyl-3-pentylsulfinylcyclopentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentylsulfinylcyclopentan-1-amine is sourced from PubChem (CID 107758936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).