N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide

C17H36N2O4S2 — CID 10739550

IUPACN-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H36N2O4S2/c1-16(2,3)24(20,21)18-13-10-14-19(15-11-8-7-9-12-15)25(22,23)17(4,5)6/h15,18H,7-14H2,1-6H3
InChIKeySWNXREUGHYENRE-UHFFFAOYSA-N
MW396.62 g/mol
LogP2.86
Rot. Bonds7

About N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide

N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide (PubChem CID 10739550) has the molecular formula C17H36N2O4S2 and a molecular weight of 396.62 g/mol. Its IUPAC name is N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide
PubChem CID10739550
Molecular FormulaC17H36N2O4S2
Molecular Weight396.62 g/mol
Exact Mass396.21
IUPAC NameN-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C17H36N2O4S2/c1-16(2,3)24(20,21)18-13-10-14-19(15-11-8-7-9-12-15)25(22,23)17(4,5)6/h15,18H,7-14H2,1-6H3
InChIKeySWNXREUGHYENRE-UHFFFAOYSA-N
XLogP2.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-2-methylpropane-2-sulfonamide
CID 63688955
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 71713804
[2-aminoethyl(tert-butylsulfamoyl)amino]cyclohexane
CID 114812758
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylpropane-2-sulfonamide
CID 63870336

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide (CID 10739550) is N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCN(C1CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide?
The InChIKey is SWNXREUGHYENRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O4S2/c1-16(2,3)24(20,21)18-13-10-14-19(15-11-8-7-9-12-15)25(22,23)17(4,5)6/h15,18H,7-14H2,1-6H3.
What are the key properties of N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide?
N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide has a molecular weight of 396.62 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butylsulfonyl(cyclohexyl)amino]propyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 10739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).