2-(heptan-4-ylamino)ethanesulfonamide

C9H22N2O2S — CID 43551797

IUPAC2-(heptan-4-ylamino)ethanesulfonamide
SMILESCCCC(CCC)NCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-5-9(6-4-2)11-7-8-14(10,12)13/h9,11H,3-8H2,1-2H3,(H2,10,12,13)
InChIKeyFPYQTAPGRMBZES-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.83
Rot. Bonds8

About 2-(heptan-4-ylamino)ethanesulfonamide

2-(heptan-4-ylamino)ethanesulfonamide (PubChem CID 43551797) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-(heptan-4-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(heptan-4-ylamino)ethanesulfonamide
PubChem CID43551797
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name2-(heptan-4-ylamino)ethanesulfonamide
SMILESCCCC(CCC)NCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-5-9(6-4-2)11-7-8-14(10,12)13/h9,11H,3-8H2,1-2H3,(H2,10,12,13)
InChIKeyFPYQTAPGRMBZES-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
CID 114385225
N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
3-N-propylhexane-1,3-diamine
CID 88724695
3-[[(2R)-1-hydroxypentan-2-yl]amino]propane-1-sulfonic acid
CID 58052830
2-(icosan-8-ylamino)ethanesulfonic acid
CID 170315512
2-(2-sulfamoylethylamino)propanamide
CID 114384800
CID 175918224
CID 175918224
2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385300
2-(pentylamino)ethanesulfonamide
CID 43551719

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-4-ylamino)ethanesulfonamide?
The IUPAC name of 2-(heptan-4-ylamino)ethanesulfonamide (CID 43551797) is 2-(heptan-4-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(heptan-4-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(heptan-4-ylamino)ethanesulfonamide is CCCC(CCC)NCCS(N)(=O)=O.
What is the InChIKey of 2-(heptan-4-ylamino)ethanesulfonamide?
The InChIKey is FPYQTAPGRMBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-5-9(6-4-2)11-7-8-14(10,12)13/h9,11H,3-8H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-(heptan-4-ylamino)ethanesulfonamide?
2-(heptan-4-ylamino)ethanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-4-ylamino)ethanesulfonamide is sourced from PubChem (CID 43551797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).