2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide

C11H17N3O3S — CID 43310560

IUPAC2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-13-11(15)7-14-18(16,17)8-10-4-2-9(6-12)3-5-10/h2-5,14H,6-8,12H2,1H3,(H,13,15)
InChIKeyRTCZXDIDENDIHN-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.69
Rot. Bonds6

About 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide

2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide (PubChem CID 43310560) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
PubChem CID43310560
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17N3O3S/c1-13-11(15)7-14-18(16,17)8-10-4-2-9(6-12)3-5-10/h2-5,14H,6-8,12H2,1H3,(H,13,15)
InChIKeyRTCZXDIDENDIHN-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-(ethylsulfonylamino)-N-methylacetamide
CID 61362851
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
2-[4-(aminomethyl)phenyl]-N-[(4-bromophenyl)methylsulfonyl]acetamide
CID 155967375
2-[(2-carbamothioylphenyl)methylsulfonylamino]-N-methylacetamide
CID 43310613
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
2-[3-(aminomethyl)anilino]-N-methylacetamide
CID 144916665
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 21156556
2-[(4-bromophenyl)methylsulfonylamino]-N-(3,5-dimethylphenyl)acetamide
CID 22300057

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide (CID 43310560) is 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide?
The InChIKey is RTCZXDIDENDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13-11(15)7-14-18(16,17)8-10-4-2-9(6-12)3-5-10/h2-5,14H,6-8,12H2,1H3,(H,13,15).
What are the key properties of 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide?
2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide has a molecular weight of 271.34 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43310560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).