N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine

C15H34N2O2S — CID 123795315

IUPACN-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCS(=O)(=O)CCN(CCC)CCC
InChIInChI=1S/C15H34N2O2S/c1-5-9-16(8-4)12-14-20(18,19)15-13-17(10-6-2)11-7-3/h5-15H2,1-4H3
InChIKeyYSQARCDEPWVIMH-UHFFFAOYSA-N
MW306.52 g/mol
LogP2.26
Rot. Bonds13

About N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine

N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine (PubChem CID 123795315) has the molecular formula C15H34N2O2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
PubChem CID123795315
Molecular FormulaC15H34N2O2S
Molecular Weight306.52 g/mol
Exact Mass306.23
IUPAC NameN-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)CCS(=O)(=O)CCN(CCC)CCC
InChIInChI=1S/C15H34N2O2S/c1-5-9-16(8-4)12-14-20(18,19)15-13-17(10-6-2)11-7-3/h5-15H2,1-4H3
InChIKeyYSQARCDEPWVIMH-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
3-[ethyl(2-propylsulfonylethyl)amino]propan-1-ol
CID 103714098
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
1-propylsulfonylpropane
CID 11709
2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
CID 114263820
N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine
CID 123613285
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine (CID 123795315) is N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine is CCCN(CC)CCS(=O)(=O)CCN(CCC)CCC.
What is the InChIKey of N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine?
The InChIKey is YSQARCDEPWVIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2S/c1-5-9-16(8-4)12-14-20(18,19)15-13-17(10-6-2)11-7-3/h5-15H2,1-4H3.
What are the key properties of N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine?
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 2.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 123795315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).