N-(2-ethylsulfonylethyl)undecan-6-amine

C15H33NO2S — CID 103780991

IUPACN-(2-ethylsulfonylethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCCS(=O)(=O)CC
InChIInChI=1S/C15H33NO2S/c1-4-7-9-11-15(12-10-8-5-2)16-13-14-19(17,18)6-3/h15-16H,4-14H2,1-3H3
InChIKeyHAASFLAVYVTSJD-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.54
Rot. Bonds13

About N-(2-ethylsulfonylethyl)undecan-6-amine

N-(2-ethylsulfonylethyl)undecan-6-amine (PubChem CID 103780991) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)undecan-6-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)undecan-6-amine
PubChem CID103780991
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-(2-ethylsulfonylethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCCS(=O)(=O)CC
InChIInChI=1S/C15H33NO2S/c1-4-7-9-11-15(12-10-8-5-2)16-13-14-19(17,18)6-3/h15-16H,4-14H2,1-3H3
InChIKeyHAASFLAVYVTSJD-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(icosan-8-ylamino)ethanesulfonic acid
CID 170315512
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985
N-pentyloctan-4-amine
CID 106023306
4-(undecan-6-ylamino)butan-2-ol
CID 64927734
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
N-tridecylpentadecan-3-amine
CID 88820168

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)undecan-6-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)undecan-6-amine (CID 103780991) is N-(2-ethylsulfonylethyl)undecan-6-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)undecan-6-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)undecan-6-amine is CCCCCC(CCCCC)NCCS(=O)(=O)CC.
What is the InChIKey of N-(2-ethylsulfonylethyl)undecan-6-amine?
The InChIKey is HAASFLAVYVTSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-4-7-9-11-15(12-10-8-5-2)16-13-14-19(17,18)6-3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)undecan-6-amine?
N-(2-ethylsulfonylethyl)undecan-6-amine has a molecular weight of 291.50 g/mol, XLogP of 3.54, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)undecan-6-amine is sourced from PubChem (CID 103780991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).