3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide

C15H24N2O3S — CID 106505055

IUPAC3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CC(O)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-9-5-14(16)11(3)15(10(9)2)21(19,20)17(4)8-12-6-13(18)7-12/h5,12-13,18H,6-8,16H2,1-4H3
InChIKeyYHVDMGCBHHSTMY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide

3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide (PubChem CID 106505055) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide
PubChem CID106505055
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CC(O)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-9-5-14(16)11(3)15(10(9)2)21(19,20)17(4)8-12-6-13(18)7-12/h5,12-13,18H,6-8,16H2,1-4H3
InChIKeyYHVDMGCBHHSTMY-UHFFFAOYSA-N
XLogP1.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-amino-2,5,6-trimethylphenyl)sulfonyl-methylamino]acetate
CID 106504662
3-amino-N,2,5,6-tetramethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 106505023
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
3-amino-N-(2-cyanoethyl)-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503686
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55258237
N-[(3-aminocyclobutyl)methyl]-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329458
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
3-amino-N-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
3-amino-N,2,5,6-tetramethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106505264
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide (CID 106505055) is 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)N(C)CC2CC(O)C2)c1C.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide?
The InChIKey is YHVDMGCBHHSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9-5-14(16)11(3)15(10(9)2)21(19,20)17(4)8-12-6-13(18)7-12/h5,12-13,18H,6-8,16H2,1-4H3.
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide?
3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)methyl]-N,2,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 106505055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).