N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine

C11H25NO2S — CID 62604483

IUPACN-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
SMILESCCNC(CCC(C)C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-12-11(7-6-10(2)3)8-9-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyTZMHHUXNRIABJJ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine

N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine (PubChem CID 62604483) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
PubChem CID62604483
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
SMILESCCNC(CCC(C)C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-5-12-11(7-6-10(2)3)8-9-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyTZMHHUXNRIABJJ-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,8-dimethylnonan-5-amine
CID 62603927
N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
CID 115848324
1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
CID 79086946
3-methyl-1-methylsulfonylbutane
CID 20712453
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
N-ethyl-6,8,8-trimethyl-1-methylsulfonylnonan-4-amine
CID 115820792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine?
The IUPAC name of N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine (CID 62604483) is N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine?
The canonical SMILES for N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine is CCNC(CCC(C)C)CCS(C)(=O)=O.
What is the InChIKey of N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine?
The InChIKey is TZMHHUXNRIABJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-12-11(7-6-10(2)3)8-9-15(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine?
N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine is sourced from PubChem (CID 62604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).