N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H26N2O2S — CID 106029965

IUPACN-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-11(2)13(5)17-20(18,19)15-8-6-7-14(9-15)10-16-12(3)4/h6-9,11-13,16-17H,10H2,1-5H3
InChIKeyVVELPTMEAGDZGN-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.51
Rot. Bonds7

About N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106029965) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106029965
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H26N2O2S/c1-11(2)13(5)17-20(18,19)15-8-6-7-14(9-15)10-16-12(3)4/h6-9,11-13,16-17H,10H2,1-5H3
InChIKeyVVELPTMEAGDZGN-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820
N-(2-methyl-2-methylsulfanylpropyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106080889
3-[[(3-fluorophenyl)methylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47620145
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071641
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-[[(4-bromophenyl)sulfonylamino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 35395491
3-(3-methylbutan-2-ylsulfamoyl)benzenecarbothioamide
CID 43131461
3-N-(3-methylbutan-2-yl)-1-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 86817072
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
CID 95624419
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106029965) is N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1cccc(S(=O)(=O)NC(C)C(C)C)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is VVELPTMEAGDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)13(5)17-20(18,19)15-8-6-7-14(9-15)10-16-12(3)4/h6-9,11-13,16-17H,10H2,1-5H3.
What are the key properties of N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106029965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).