N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide

C10H23N3O3S — CID 43606820

IUPACN-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H23N3O3S/c1-10(2)11-4-3-5-12-17(14,15)13-6-8-16-9-7-13/h10-12H,3-9H2,1-2H3
InChIKeyVSZNWVRQMDLKGJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.46
Rot. Bonds7

About N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide

N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide (PubChem CID 43606820) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
PubChem CID43606820
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H23N3O3S/c1-10(2)11-4-3-5-12-17(14,15)13-6-8-16-9-7-13/h10-12H,3-9H2,1-2H3
InChIKeyVSZNWVRQMDLKGJ-UHFFFAOYSA-N
XLogP-0.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.46
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-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
CID 114959323
N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
CID 106245433
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide (CID 43606820) is N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide is CC(C)NCCCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide?
The InChIKey is VSZNWVRQMDLKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2)11-4-3-5-12-17(14,15)13-6-8-16-9-7-13/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide?
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 43606820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).