2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine

C15H25NO2S — CID 65263400

IUPAC2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
SMILESCc1cccc(CS(=O)(=O)CCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-19(17,18)9-5-8-15(2,3)12-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyVXZNHPYNQOXCLR-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.67
Rot. Bonds7

About 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine

2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine (PubChem CID 65263400) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
PubChem CID65263400
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
SMILESCc1cccc(CS(=O)(=O)CCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-19(17,18)9-5-8-15(2,3)12-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyVXZNHPYNQOXCLR-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-[(3-methylphenyl)methylsulfinyl]hexan-1-amine
CID 106714809
2,2-dimethyl-6-(3-methylphenyl)sulfonylhexan-1-amine
CID 106714769
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
CID 119991476
1-(3-azidopropylsulfonylmethyl)-3-methylbenzene
CID 62766412
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]aniline
CID 62772139
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 79577406
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
2-bromo-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 115558441

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine (CID 65263400) is 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine is Cc1cccc(CS(=O)(=O)CCCC(C)(C)CN)c1.
What is the InChIKey of 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine?
The InChIKey is VXZNHPYNQOXCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-19(17,18)9-5-8-15(2,3)12-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine?
2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine is sourced from PubChem (CID 65263400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).