N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide

C7H13ClN4O3S — CID 106956708

IUPACN-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nnc(CCCl)o1
InChIInChI=1S/C7H13ClN4O3S/c1-16(13,14)10-5-4-9-7-12-11-6(15-7)2-3-8/h10H,2-5H2,1H3,(H,9,12)
InChIKeyMRORREWNDUWJQN-UHFFFAOYSA-N
MW268.73 g/mol
LogP-0.19
Rot. Bonds7

About N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide

N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 106956708) has the molecular formula C7H13ClN4O3S and a molecular weight of 268.73 g/mol. Its IUPAC name is N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
PubChem CID106956708
Molecular FormulaC7H13ClN4O3S
Molecular Weight268.73 g/mol
Exact Mass268.04
IUPAC NameN-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1nnc(CCCl)o1
InChIInChI=1S/C7H13ClN4O3S/c1-16(13,14)10-5-4-9-7-12-11-6(15-7)2-3-8/h10H,2-5H2,1H3,(H,9,12)
InChIKeyMRORREWNDUWJQN-UHFFFAOYSA-N
XLogP-0.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296
N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
CID 106332569
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
4-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
CID 106956869
5-(2-chloroethyl)-N-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106956817
5-(2-chloroethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957280
5-(2-chloroethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106413122
5-(2-chloroethyl)-N-[2-(3,5-difluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957536
5-(2-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052181
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide (CID 106956708) is N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1nnc(CCCl)o1.
What is the InChIKey of N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is MRORREWNDUWJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN4O3S/c1-16(13,14)10-5-4-9-7-12-11-6(15-7)2-3-8/h10H,2-5H2,1H3,(H,9,12).
What are the key properties of N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 268.73 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 106956708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).