N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide

C11H26N2O2S — CID 115889629

IUPACN-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
SMILESCCCCCC(C)NCCS(=O)(=O)NCC
InChIInChI=1S/C11H26N2O2S/c1-4-6-7-8-11(3)12-9-10-16(14,15)13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyCIDSGPHMDVJCRV-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.48
Rot. Bonds10

About N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide

N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide (PubChem CID 115889629) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
PubChem CID115889629
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
SMILESCCCCCC(C)NCCS(=O)(=O)NCC
InChIInChI=1S/C11H26N2O2S/c1-4-6-7-8-11(3)12-9-10-16(14,15)13-5-2/h11-13H,4-10H2,1-3H3
InChIKeyCIDSGPHMDVJCRV-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
2-(pentadecan-2-ylamino)ethanesulfonic acid
CID 12698311
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 75515328
N-heptan-2-yldodecan-1-amine
CID 63491878
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-propylnonan-2-amine
CID 43129664
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide (CID 115889629) is N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide is CCCCCC(C)NCCS(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide?
The InChIKey is CIDSGPHMDVJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-4-6-7-8-11(3)12-9-10-16(14,15)13-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide?
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 115889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).