2-benzylsulfinyl-N-methylcyclopentan-1-amine

C13H19NOS — CID 64658738

IUPAC2-benzylsulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C13H19NOS/c1-14-12-8-5-9-13(12)16(15)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyJPVPOYZQXGXDBX-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.08
Rot. Bonds4

About 2-benzylsulfinyl-N-methylcyclopentan-1-amine

2-benzylsulfinyl-N-methylcyclopentan-1-amine (PubChem CID 64658738) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-benzylsulfinyl-N-methylcyclopentan-1-amine
PubChem CID64658738
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-benzylsulfinyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C13H19NOS/c1-14-12-8-5-9-13(12)16(15)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyJPVPOYZQXGXDBX-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64657965
2-benzylsulfinylcyclohexan-1-amine
CID 64660290
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
2-(2-fluorophenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64658723
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-methylcyclopentan-1-amine?
The IUPAC name of 2-benzylsulfinyl-N-methylcyclopentan-1-amine (CID 64658738) is 2-benzylsulfinyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-benzylsulfinyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-benzylsulfinyl-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-methylcyclopentan-1-amine?
The InChIKey is JPVPOYZQXGXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-12-8-5-9-13(12)16(15)10-11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3.
What are the key properties of 2-benzylsulfinyl-N-methylcyclopentan-1-amine?
2-benzylsulfinyl-N-methylcyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64658738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).