1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine

C12H28N2O2S — CID 79086946

IUPAC1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
SMILESCCNC(CCN(CC)CC)CCS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-13-12(9-11-17(4,15)16)8-10-14(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyJSZLKWUSNFOCNB-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.13
Rot. Bonds10

About 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine

1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine (PubChem CID 79086946) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
PubChem CID79086946
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Name1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
SMILESCCNC(CCN(CC)CC)CCS(C)(=O)=O
InChIInChI=1S/C12H28N2O2S/c1-5-13-12(9-11-17(4,15)16)8-10-14(6-2)7-3/h12-13H,5-11H2,1-4H3
InChIKeyJSZLKWUSNFOCNB-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
CID 62604483
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
CID 79086942
N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
CID 115848324
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
CID 79086954

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine (CID 79086946) is 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine is CCNC(CCN(CC)CC)CCS(C)(=O)=O.
What is the InChIKey of 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine?
The InChIKey is JSZLKWUSNFOCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-13-12(9-11-17(4,15)16)8-10-14(6-2)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine?
1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine has a molecular weight of 264.43 g/mol, XLogP of 1.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine is sourced from PubChem (CID 79086946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).