2-butylsulfinylcyclopentane-1-carbonitrile

C10H17NOS — CID 64692329

IUPAC2-butylsulfinylcyclopentane-1-carbonitrile
SMILESCCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C10H17NOS/c1-2-3-7-13(12)10-6-4-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeySEXMDXAZUQQPSI-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.23
Rot. Bonds4

About 2-butylsulfinylcyclopentane-1-carbonitrile

2-butylsulfinylcyclopentane-1-carbonitrile (PubChem CID 64692329) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-butylsulfinylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-butylsulfinylcyclopentane-1-carbonitrile
PubChem CID64692329
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-butylsulfinylcyclopentane-1-carbonitrile
SMILESCCCCS(=O)C1CCCC1C#N
InChIInChI=1S/C10H17NOS/c1-2-3-7-13(12)10-6-4-5-9(10)8-11/h9-10H,2-7H2,1H3
InChIKeySEXMDXAZUQQPSI-UHFFFAOYSA-N
XLogP2.23
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylsulfinylcyclopentane-1-carbonitrile
CID 64690280
2-(3-methoxypropylsulfinyl)cyclopentane-1-carbonitrile
CID 64692282
2-(2-methylpropylsulfinyl)cyclopentane-1-carbonitrile
CID 64691339
2-(2-methylbutylsulfinyl)cycloheptane-1-carbonitrile
CID 107767191
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
2-ethylsulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64691505
3-butylsulfinylcyclohexan-1-amine
CID 64717770
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-[(3-methylphenyl)methylsulfinyl]cycloheptane-1-carbonitrile
CID 64690852
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
2-cyclopentylsulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64692762
1-methyl-2-propylsulfinylcyclohexane
CID 21427687

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinylcyclopentane-1-carbonitrile?
The IUPAC name of 2-butylsulfinylcyclopentane-1-carbonitrile (CID 64692329) is 2-butylsulfinylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-butylsulfinylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-butylsulfinylcyclopentane-1-carbonitrile is CCCCS(=O)C1CCCC1C#N.
What is the InChIKey of 2-butylsulfinylcyclopentane-1-carbonitrile?
The InChIKey is SEXMDXAZUQQPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-2-3-7-13(12)10-6-4-5-9(10)8-11/h9-10H,2-7H2,1H3.
What are the key properties of 2-butylsulfinylcyclopentane-1-carbonitrile?
2-butylsulfinylcyclopentane-1-carbonitrile has a molecular weight of 199.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinylcyclopentane-1-carbonitrile is sourced from PubChem (CID 64692329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).