N-ethyl-2-(heptylamino)ethanesulfonamide

C11H26N2O2S — CID 106334117

IUPACN-ethyl-2-(heptylamino)ethanesulfonamide
SMILESCCCCCCCNCCS(=O)(=O)NCC
InChIInChI=1S/C11H26N2O2S/c1-3-5-6-7-8-9-12-10-11-16(14,15)13-4-2/h12-13H,3-11H2,1-2H3
InChIKeySXHWCAQEIDSASM-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.49
Rot. Bonds11

About N-ethyl-2-(heptylamino)ethanesulfonamide

N-ethyl-2-(heptylamino)ethanesulfonamide (PubChem CID 106334117) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-ethyl-2-(heptylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(heptylamino)ethanesulfonamide
PubChem CID106334117
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-(heptylamino)ethanesulfonamide
SMILESCCCCCCCNCCS(=O)(=O)NCC
InChIInChI=1S/C11H26N2O2S/c1-3-5-6-7-8-9-12-10-11-16(14,15)13-4-2/h12-13H,3-11H2,1-2H3
InChIKeySXHWCAQEIDSASM-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.49
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-1-amine
CID 60918921
2-(decylamino)ethanesulfonic acid
CID 13089902
N-octadecylpropane-1-sulfonamide
CID 88827291
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-decylbutane-1-sulfonamide
CID 19681427
2-(pentylamino)ethanesulfonamide
CID 43551719
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-octyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(heptylamino)ethanesulfonamide?
The IUPAC name of N-ethyl-2-(heptylamino)ethanesulfonamide (CID 106334117) is N-ethyl-2-(heptylamino)ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-(heptylamino)ethanesulfonamide?
The canonical SMILES for N-ethyl-2-(heptylamino)ethanesulfonamide is CCCCCCCNCCS(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-(heptylamino)ethanesulfonamide?
The InChIKey is SXHWCAQEIDSASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-3-5-6-7-8-9-12-10-11-16(14,15)13-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(heptylamino)ethanesulfonamide?
N-ethyl-2-(heptylamino)ethanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(heptylamino)ethanesulfonamide is sourced from PubChem (CID 106334117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).