N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide

C9H22N2O3S — CID 165352650

IUPACN-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide
SMILESCCN[C@@H](C)CNS(=O)(=O)CCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-10-9(2)8-11-15(13,14)7-5-4-6-12/h9-12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyKNIXRACWHUZXMO-VIFPVBQESA-N
MW238.35 g/mol
LogP-0.32
Rot. Bonds9

About N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide

N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide (PubChem CID 165352650) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide
PubChem CID165352650
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide
SMILESCCN[C@@H](C)CNS(=O)(=O)CCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-10-9(2)8-11-15(13,14)7-5-4-6-12/h9-12H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyKNIXRACWHUZXMO-VIFPVBQESA-N
XLogP-0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide
CID 121405634
N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481163
(1-Propylsulfonylpiperazin-2-yl)methanol
CID 123558742
1-[2-(2-Aminoethylamino)propylsulfonyl]ethanol
CID 139898771
3-(1,3-dihydroxypropan-2-ylamino)-N-propylpropane-1-sulfonamide;ethane
CID 145415812
2-(3-Methylpiperazin-1-yl)sulfonylethanol
CID 156866070
N-(3-hydroxypropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 163646963
4-Piperazin-1-ylsulfonylbutan-1-ol
CID 174465570
3-Piperazin-1-ylsulfonylpropan-1-ol
CID 17796525
N-butyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54971950
2-[4-[2-(Propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol
CID 54972132
N-(2-hydroxyethyl)-3-(propan-2-ylamino)-N-propylpropane-1-sulfonamide
CID 54972146

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide (CID 165352650) is N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide is CCN[C@@H](C)CNS(=O)(=O)CCCCO.
What is the InChIKey of N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide?
The InChIKey is KNIXRACWHUZXMO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-3-10-9(2)8-11-15(13,14)7-5-4-6-12/h9-12H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide?
N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(ethylamino)propyl]-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 165352650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).