N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide

C9H13ClN2O3S2 — CID 47165136

IUPACN-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-2-1-8(16-9)7-11-17(13,14)12-3-5-15-6-4-12/h1-2,11H,3-7H2
InChIKeyYNSTVMJRNQWXKV-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.07
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide (PubChem CID 47165136) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide
PubChem CID47165136
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-2-1-8(16-9)7-11-17(13,14)12-3-5-15-6-4-12/h1-2,11H,3-7H2
InChIKeyYNSTVMJRNQWXKV-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
CID 106048154
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
CID 51335175
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35603405
3-[5-[(piperidin-1-ylsulfonylamino)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033969
(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide
CID 17488534
2-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767662
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide (CID 47165136) is N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide is O=S(=O)(NCc1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide?
The InChIKey is YNSTVMJRNQWXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c10-9-2-1-8(16-9)7-11-17(13,14)12-3-5-15-6-4-12/h1-2,11H,3-7H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 47165136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).