N,4-dimethyl-7-methylsulfonylheptan-2-amine

C10H23NO2S — CID 64721410

IUPACN,4-dimethyl-7-methylsulfonylheptan-2-amine
SMILESCNC(C)CC(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(8-10(2)11-3)6-5-7-14(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyURTYPVVGFOZEBJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds7

About N,4-dimethyl-7-methylsulfonylheptan-2-amine

N,4-dimethyl-7-methylsulfonylheptan-2-amine (PubChem CID 64721410) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N,4-dimethyl-7-methylsulfonylheptan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-7-methylsulfonylheptan-2-amine
PubChem CID64721410
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN,4-dimethyl-7-methylsulfonylheptan-2-amine
SMILESCNC(C)CC(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-9(8-10(2)11-3)6-5-7-14(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyURTYPVVGFOZEBJ-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
N,4-dimethyldecan-2-amine
CID 64721855
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
N-methyl-6-(2-methylsulfonylethylsulfinyl)hexan-2-amine
CID 64658367
1-chloro-2-methyl-6-methylsulfonylhexane
CID 64666944
5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
CID 115820781
(1-methoxy-2-methyl-7-methylsulfonylheptan-4-yl)hydrazine
CID 105290999
6-methyl-1-methylsulfonyloctan-4-ol
CID 115780121
3-methyl-1-methylsulfonylbutane
CID 20712453
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
4-(bromomethyl)-6-methyl-1-methylsulfonylheptane
CID 66050498
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
CID 104845309

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-7-methylsulfonylheptan-2-amine?
The IUPAC name of N,4-dimethyl-7-methylsulfonylheptan-2-amine (CID 64721410) is N,4-dimethyl-7-methylsulfonylheptan-2-amine.
What is the SMILES notation for N,4-dimethyl-7-methylsulfonylheptan-2-amine?
The canonical SMILES for N,4-dimethyl-7-methylsulfonylheptan-2-amine is CNC(C)CC(C)CCCS(C)(=O)=O.
What is the InChIKey of N,4-dimethyl-7-methylsulfonylheptan-2-amine?
The InChIKey is URTYPVVGFOZEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(8-10(2)11-3)6-5-7-14(4,12)13/h9-11H,5-8H2,1-4H3.
What are the key properties of N,4-dimethyl-7-methylsulfonylheptan-2-amine?
N,4-dimethyl-7-methylsulfonylheptan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-7-methylsulfonylheptan-2-amine is sourced from PubChem (CID 64721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).