N-(3-iodopropyl)morpholine-4-sulfonamide

C7H15IN2O3S — CID 114504667

IUPACN-(3-iodopropyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCCCI)N1CCOCC1
InChIInChI=1S/C7H15IN2O3S/c8-2-1-3-9-14(11,12)10-4-6-13-7-5-10/h9H,1-7H2
InChIKeyUPJIVQALADBLOR-UHFFFAOYSA-N
MW334.18 g/mol
LogP-0.02
Rot. Bonds5

About N-(3-iodopropyl)morpholine-4-sulfonamide

N-(3-iodopropyl)morpholine-4-sulfonamide (PubChem CID 114504667) has the molecular formula C7H15IN2O3S and a molecular weight of 334.18 g/mol. Its IUPAC name is N-(3-iodopropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-iodopropyl)morpholine-4-sulfonamide
PubChem CID114504667
Molecular FormulaC7H15IN2O3S
Molecular Weight334.18 g/mol
Exact Mass333.98
IUPAC NameN-(3-iodopropyl)morpholine-4-sulfonamide
SMILESO=S(=O)(NCCCI)N1CCOCC1
InChIInChI=1S/C7H15IN2O3S/c8-2-1-3-9-14(11,12)10-4-6-13-7-5-10/h9H,1-7H2
InChIKeyUPJIVQALADBLOR-UHFFFAOYSA-N
XLogP-0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
CID 65033687
N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082
N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
CID 106245433
N-(2-phenylsulfanylethyl)morpholine-4-sulfonamide
CID 47141638
N-bromomorpholine-4-sulfonamide
CID 117126249

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-iodopropyl)morpholine-4-sulfonamide (CID 114504667) is N-(3-iodopropyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-iodopropyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-iodopropyl)morpholine-4-sulfonamide is O=S(=O)(NCCCI)N1CCOCC1.
What is the InChIKey of N-(3-iodopropyl)morpholine-4-sulfonamide?
The InChIKey is UPJIVQALADBLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2O3S/c8-2-1-3-9-14(11,12)10-4-6-13-7-5-10/h9H,1-7H2.
What are the key properties of N-(3-iodopropyl)morpholine-4-sulfonamide?
N-(3-iodopropyl)morpholine-4-sulfonamide has a molecular weight of 334.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 114504667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).