N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide

C11H17N3O3S — CID 43552821

IUPACN-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-9(15)13-6-7-14-18(16,17)11-4-2-10(8-12)3-5-11/h2-5,14H,6-8,12H2,1H3,(H,13,15)
InChIKeyCHUCHMWYFHPYSG-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.44
Rot. Bonds6

About N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide

N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide (PubChem CID 43552821) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
PubChem CID43552821
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-9(15)13-6-7-14-18(16,17)11-4-2-10(8-12)3-5-11/h2-5,14H,6-8,12H2,1H3,(H,13,15)
InChIKeyCHUCHMWYFHPYSG-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
CID 47173310
2-[[4-(bromomethyl)phenyl]sulfonylamino]ethylurea
CID 83115023
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide (CID 43552821) is N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide?
The InChIKey is CHUCHMWYFHPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9(15)13-6-7-14-18(16,17)11-4-2-10(8-12)3-5-11/h2-5,14H,6-8,12H2,1H3,(H,13,15).
What are the key properties of N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide?
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 43552821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).