2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine

C13H18ClNO2S — CID 114792023

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-15-12-3-2-4-13(12)18(16,17)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyAKRWTXOQHDMTLS-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.40
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine

2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine (PubChem CID 114792023) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
PubChem CID114792023
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-15-12-3-2-4-13(12)18(16,17)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3
InChIKeyAKRWTXOQHDMTLS-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-methylcyclohexan-1-amine
CID 64644766
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylcycloheptan-1-amine
CID 114792007
1-chloro-4-[[(1R,2S)-2-methylsulfonylcyclohexyl]sulfonylmethyl]benzene
CID 7027908
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
CID 64675912
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
[3-[(1S,2R)-2-[(4-chlorophenyl)methylsulfonyl]cyclohexyl]oxy-3-oxopropyl]-dimethylazanium
CID 7241687
1-N,2-N-bis[(4-chlorophenyl)methyl]cyclohexane-1,2-diamine
CID 51040605
2-[(4-chlorophenyl)methylsulfonyl]-4-propylcyclohexan-1-amine
CID 114792080
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine (CID 114792023) is 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine?
The InChIKey is AKRWTXOQHDMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-15-12-3-2-4-13(12)18(16,17)9-10-5-7-11(14)8-6-10/h5-8,12-13,15H,2-4,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine?
2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 114792023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).