2-pentylsulfinyl-N-propylcyclooctan-1-amine

C16H33NOS — CID 107759026

IUPAC2-pentylsulfinyl-N-propylcyclooctan-1-amine
SMILESCCCCCS(=O)C1CCCCCCC1NCCC
InChIInChI=1S/C16H33NOS/c1-3-5-10-14-19(18)16-12-9-7-6-8-11-15(16)17-13-4-2/h15-17H,3-14H2,1-2H3
InChIKeyNORAUEBEJDTVOF-UHFFFAOYSA-N
MW287.51 g/mol
LogP4.02
Rot. Bonds8

About 2-pentylsulfinyl-N-propylcyclooctan-1-amine

2-pentylsulfinyl-N-propylcyclooctan-1-amine (PubChem CID 107759026) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 2-pentylsulfinyl-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-pentylsulfinyl-N-propylcyclooctan-1-amine
PubChem CID107759026
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name2-pentylsulfinyl-N-propylcyclooctan-1-amine
SMILESCCCCCS(=O)C1CCCCCCC1NCCC
InChIInChI=1S/C16H33NOS/c1-3-5-10-14-19(18)16-12-9-7-6-8-11-15(16)17-13-4-2/h15-17H,3-14H2,1-2H3
InChIKeyNORAUEBEJDTVOF-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.02
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

2-(3-methoxypropylsulfinyl)-N-propylcyclopentan-1-amine
CID 64659982
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107759857
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
N-ethyl-2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758842
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinyl-N-propylcyclooctan-1-amine?
The IUPAC name of 2-pentylsulfinyl-N-propylcyclooctan-1-amine (CID 107759026) is 2-pentylsulfinyl-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-pentylsulfinyl-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-pentylsulfinyl-N-propylcyclooctan-1-amine is CCCCCS(=O)C1CCCCCCC1NCCC.
What is the InChIKey of 2-pentylsulfinyl-N-propylcyclooctan-1-amine?
The InChIKey is NORAUEBEJDTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-3-5-10-14-19(18)16-12-9-7-6-8-11-15(16)17-13-4-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-pentylsulfinyl-N-propylcyclooctan-1-amine?
2-pentylsulfinyl-N-propylcyclooctan-1-amine has a molecular weight of 287.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinyl-N-propylcyclooctan-1-amine is sourced from PubChem (CID 107759026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).