2-amino-N-(3-propoxypropyl)ethanesulfonamide

C8H20N2O3S — CID 82940128

IUPAC2-amino-N-(3-propoxypropyl)ethanesulfonamide
SMILESCCCOCCCNS(=O)(=O)CCN
InChIInChI=1S/C8H20N2O3S/c1-2-6-13-7-3-5-10-14(11,12)8-4-9/h10H,2-9H2,1H3
InChIKeyDUVUSXBZJXTKED-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds9

About 2-amino-N-(3-propoxypropyl)ethanesulfonamide

2-amino-N-(3-propoxypropyl)ethanesulfonamide (PubChem CID 82940128) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-amino-N-(3-propoxypropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-propoxypropyl)ethanesulfonamide
PubChem CID82940128
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-amino-N-(3-propoxypropyl)ethanesulfonamide
SMILESCCCOCCCNS(=O)(=O)CCN
InChIInChI=1S/C8H20N2O3S/c1-2-6-13-7-3-5-10-14(11,12)8-4-9/h10H,2-9H2,1H3
InChIKeyDUVUSXBZJXTKED-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propoxypropyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3-propoxypropyl)ethanesulfonamide (CID 82940128) is 2-amino-N-(3-propoxypropyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3-propoxypropyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3-propoxypropyl)ethanesulfonamide is CCCOCCCNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(3-propoxypropyl)ethanesulfonamide?
The InChIKey is DUVUSXBZJXTKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-2-6-13-7-3-5-10-14(11,12)8-4-9/h10H,2-9H2,1H3.
What are the key properties of 2-amino-N-(3-propoxypropyl)ethanesulfonamide?
2-amino-N-(3-propoxypropyl)ethanesulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propoxypropyl)ethanesulfonamide is sourced from PubChem (CID 82940128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).