N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine

C15H27NO2S2 — CID 105152716

IUPACN-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
SMILESCCNC(CCCc1cccs1)CCCS(=O)(=O)CC
InChIInChI=1S/C15H27NO2S2/c1-3-16-14(9-7-13-20(17,18)4-2)8-5-10-15-11-6-12-19-15/h6,11-12,14,16H,3-5,7-10,13H2,1-2H3
InChIKeySWYDAXLPWYMWQD-UHFFFAOYSA-N
MW317.52 g/mol
LogP3.26
Rot. Bonds11

About N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine

N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine (PubChem CID 105152716) has the molecular formula C15H27NO2S2 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
PubChem CID105152716
Molecular FormulaC15H27NO2S2
Molecular Weight317.52 g/mol
Exact Mass317.15
IUPAC NameN-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
SMILESCCNC(CCCc1cccs1)CCCS(=O)(=O)CC
InChIInChI=1S/C15H27NO2S2/c1-3-16-14(9-7-13-20(17,18)4-2)8-5-10-15-11-6-12-19-15/h6,11-12,14,16H,3-5,7-10,13H2,1-2H3
InChIKeySWYDAXLPWYMWQD-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The IUPAC name of N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine (CID 105152716) is N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The canonical SMILES for N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine is CCNC(CCCc1cccs1)CCCS(=O)(=O)CC.
What is the InChIKey of N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The InChIKey is SWYDAXLPWYMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S2/c1-3-16-14(9-7-13-20(17,18)4-2)8-5-10-15-11-6-12-19-15/h6,11-12,14,16H,3-5,7-10,13H2,1-2H3.
What are the key properties of N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine?
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine has a molecular weight of 317.52 g/mol, XLogP of 3.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine is sourced from PubChem (CID 105152716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).