N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide

C10H20N4O3S — CID 114185414

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)C(C)CNC(C)C)no1
InChIInChI=1S/C10H20N4O3S/c1-7(2)11-5-8(3)18(15,16)12-6-10-13-9(4)17-14-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyYEWLJSKPBAVYBJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.18
Rot. Bonds7

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 114185414) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID114185414
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)C(C)CNC(C)C)no1
InChIInChI=1S/C10H20N4O3S/c1-7(2)11-5-8(3)18(15,16)12-6-10-13-9(4)17-14-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyYEWLJSKPBAVYBJ-UHFFFAOYSA-N
XLogP0.18
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 103850460
1-(cyclopropylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-2-sulfonamide
CID 106423680
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
CID 107911409
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
N-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106018241
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide (CID 114185414) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide is Cc1nc(CNS(=O)(=O)C(C)CNC(C)C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is YEWLJSKPBAVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-7(2)11-5-8(3)18(15,16)12-6-10-13-9(4)17-14-10/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 114185414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).