2-(pentylamino)ethanesulfonamide

C7H18N2O2S — CID 43551719

IUPAC2-(pentylamino)ethanesulfonamide
SMILESCCCCCNCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-2-3-4-5-9-6-7-12(8,10)11/h9H,2-7H2,1H3,(H2,8,10,11)
InChIKeyVBVZOYHRDRUXJS-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.05
Rot. Bonds7

About 2-(pentylamino)ethanesulfonamide

2-(pentylamino)ethanesulfonamide (PubChem CID 43551719) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(pentylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(pentylamino)ethanesulfonamide
PubChem CID43551719
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-(pentylamino)ethanesulfonamide
SMILESCCCCCNCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-2-3-4-5-9-6-7-12(8,10)11/h9H,2-7H2,1H3,(H2,8,10,11)
InChIKeyVBVZOYHRDRUXJS-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.05
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
CID 175918224
CID 175918224
pentacosane-1-sulfonamide
CID 149252389
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
2-(5,5,5-trifluoropentylamino)ethanesulfonamide
CID 114385128
N-hexylhexan-1-amine;methanamine
CID 22649908
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-pentylpentan-1-amine;sulfane
CID 173223078

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)ethanesulfonamide?
The IUPAC name of 2-(pentylamino)ethanesulfonamide (CID 43551719) is 2-(pentylamino)ethanesulfonamide.
What is the SMILES notation for 2-(pentylamino)ethanesulfonamide?
The canonical SMILES for 2-(pentylamino)ethanesulfonamide is CCCCCNCCS(N)(=O)=O.
What is the InChIKey of 2-(pentylamino)ethanesulfonamide?
The InChIKey is VBVZOYHRDRUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-2-3-4-5-9-6-7-12(8,10)11/h9H,2-7H2,1H3,(H2,8,10,11).
What are the key properties of 2-(pentylamino)ethanesulfonamide?
2-(pentylamino)ethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)ethanesulfonamide is sourced from PubChem (CID 43551719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).