N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine

C13H27NO2S — CID 79558553

IUPACN-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-13(2,17(3,15)16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,4-11H2,1-3H3
InChIKeyKPGFEFHBZLELAB-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds5

About N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine

N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79558553) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79558553
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCC(C)(CNCC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-13(2,17(3,15)16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,4-11H2,1-3H3
InChIKeyKPGFEFHBZLELAB-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
N-cyclopentyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552375
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106
1-cyclohexyl-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111966589
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine
CID 158786871
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
(cyclononylmethylamino)methanol
CID 137465268
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 79558553) is N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine is CC(C)(CNCC1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is KPGFEFHBZLELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-13(2,17(3,15)16)11-14-10-12-8-6-4-5-7-9-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine?
N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79558553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).