N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C19H33N3O2S — CID 70938718

IUPACN-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCN(C)c1cccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H33N3O2S/c1-19(2,3)25(23,24)21-16-11-9-15(10-12-16)14-20-17-7-6-8-18(13-17)22(4)5/h6-8,13,15-16,20-21H,9-12,14H2,1-5H3
InChIKeyFHQLZHSLOSPIEF-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.44
Rot. Bonds6

About N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70938718) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70938718
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC NameN-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCN(C)c1cccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H33N3O2S/c1-19(2,3)25(23,24)21-16-11-9-15(10-12-16)14-20-17-7-6-8-18(13-17)22(4)5/h6-8,13,15-16,20-21H,9-12,14H2,1-5H3
InChIKeyFHQLZHSLOSPIEF-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[(3-pyrrol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
CID 157423224
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 59230355
N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
2-methyl-N-[4-[[(2-methyl-1,3-dioxoisoindol-5-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939068
3-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-5-fluoro-N,N-dimethylbenzamide
CID 59231268
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
N-[4-[[(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-7-yl)amino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 59231308
N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939562
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70938718) is N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CN(C)c1cccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is FHQLZHSLOSPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-19(2,3)25(23,24)21-16-11-9-15(10-12-16)14-20-17-7-6-8-18(13-17)22(4)5/h6-8,13,15-16,20-21H,9-12,14H2,1-5H3.
What are the key properties of N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 367.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70938718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).