N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide

C10H21ClN2O3S — CID 63396894

IUPACN-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21ClN2O3S/c1-2-3-5-12(6-4-11)17(14,15)13-7-9-16-10-8-13/h2-10H2,1H3
InChIKeyZGFUQLIPWADJMQ-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.90
Rot. Bonds7

About N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide

N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide (PubChem CID 63396894) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
PubChem CID63396894
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC NameN-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21ClN2O3S/c1-2-3-5-12(6-4-11)17(14,15)13-7-9-16-10-8-13/h2-10H2,1H3
InChIKeyZGFUQLIPWADJMQ-UHFFFAOYSA-N
XLogP0.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
4-morpholin-4-ylsulfonyl-N,N-dipropylpiperazine-1-sulfonamide
CID 55627166
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
1-(dibutylsulfamoyl)piperidine-4-carboxylic acid
CID 60857771
2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516
N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
CID 63396851
N-butyl-N-methyl-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
CID 55627629
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
CID 63285308
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide (CID 63396894) is N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide is CCCCN(CCCl)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide?
The InChIKey is ZGFUQLIPWADJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O3S/c1-2-3-5-12(6-4-11)17(14,15)13-7-9-16-10-8-13/h2-10H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide?
N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide has a molecular weight of 284.81 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 63396894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).