N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide

C16H22N2O2S2 — CID 48563028

IUPACN-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccs1
InChIInChI=1S/C16H22N2O2S2/c1-16(2,3)18-22(19,20)15-9-5-4-7-13(15)11-17-12-14-8-6-10-21-14/h4-10,17-18H,11-12H2,1-3H3
InChIKeyXHBYVGSGJMYIAQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.11
Rot. Bonds6

About N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide

N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 48563028) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide
PubChem CID48563028
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccs1
InChIInChI=1S/C16H22N2O2S2/c1-16(2,3)18-22(19,20)15-9-5-4-7-13(15)11-17-12-14-8-6-10-21-14/h4-10,17-18H,11-12H2,1-3H3
InChIKeyXHBYVGSGJMYIAQ-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111260049
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 70896653
N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
CID 13372366
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
CID 48563030
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide (CID 48563028) is N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccs1.
What is the InChIKey of N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is XHBYVGSGJMYIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-16(2,3)18-22(19,20)15-9-5-4-7-13(15)11-17-12-14-8-6-10-21-14/h4-10,17-18H,11-12H2,1-3H3.
What are the key properties of N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide?
N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 48563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).