2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide

C12H19N3O3S — CID 60873598

IUPAC2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NCC(N)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-3-11(14-2)9-5-4-6-10(7-9)19(17,18)15-8-12(13)16/h4-7,11,14-15H,3,8H2,1-2H3,(H2,13,16)
InChIKeyGNBATFAZUNSFLQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.12
Rot. Bonds7

About 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide

2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide (PubChem CID 60873598) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
PubChem CID60873598
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NCC(N)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-3-11(14-2)9-5-4-6-10(7-9)19(17,18)15-8-12(13)16/h4-7,11,14-15H,3,8H2,1-2H3,(H2,13,16)
InChIKeyGNBATFAZUNSFLQ-UHFFFAOYSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
methyl 2-[[3-[1-(ethylamino)propyl]phenyl]sulfonylamino]acetate
CID 60871696
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide (CID 60873598) is 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide is CCC(NC)c1cccc(S(=O)(=O)NCC(N)=O)c1.
What is the InChIKey of 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide?
The InChIKey is GNBATFAZUNSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-11(14-2)9-5-4-6-10(7-9)19(17,18)15-8-12(13)16/h4-7,11,14-15H,3,8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide?
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 60873598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).