3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine

C10H21NOS — CID 64655468

IUPAC3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
SMILESCNCCCS(=O)CC1CCCC1
InChIInChI=1S/C10H21NOS/c1-11-7-4-8-13(12)9-10-5-2-3-6-10/h10-11H,2-9H2,1H3
InChIKeyIMMKFSVHUOGWLR-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.53
Rot. Bonds6

About 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine

3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine (PubChem CID 64655468) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
PubChem CID64655468
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine
SMILESCNCCCS(=O)CC1CCCC1
InChIInChI=1S/C10H21NOS/c1-11-7-4-8-13(12)9-10-5-2-3-6-10/h10-11H,2-9H2,1H3
InChIKeyIMMKFSVHUOGWLR-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.53
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

6-(cyclopentylmethylsulfinyl)-N-methylhexan-3-amine
CID 106808036
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
2-(cyclohexylmethylsulfinyl)ethanamine
CID 58684182
5-(cyclopentylmethylsulfinyl)pentanenitrile
CID 64698774
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738
[4-[3-(cyclopentylmethylsulfinyl)propoxy]phenyl]methanamine
CID 81334034
N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
CID 115685658
2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
CID 79588291
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
3-(cyclohexylmethylsulfinylmethyl)azetidine
CID 81196611
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
cyclohexanamine;N-methylbutan-1-amine
CID 22649907

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine (CID 64655468) is 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine is CNCCCS(=O)CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine?
The InChIKey is IMMKFSVHUOGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-11-7-4-8-13(12)9-10-5-2-3-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine?
3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 64655468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).