N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide

C19H43N3O2S — CID 118241946

IUPACN-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide
SMILESCCC(CN(CCN(C)C)C(C)C)CC(C)(C)N(C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H43N3O2S/c1-11-18(15-21(16(2)3)13-12-20(8)9)14-19(6,7)22(17(4)5)25(10,23)24/h16-18H,11-15H2,1-10H3
InChIKeyWHGWORVENODDGB-UHFFFAOYSA-N
MW377.64 g/mol
LogP3.12
Rot. Bonds12

About N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide

N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 118241946) has the molecular formula C19H43N3O2S and a molecular weight of 377.64 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide
PubChem CID118241946
Molecular FormulaC19H43N3O2S
Molecular Weight377.64 g/mol
Exact Mass377.31
IUPAC NameN-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide
SMILESCCC(CN(CCN(C)C)C(C)C)CC(C)(C)N(C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H43N3O2S/c1-11-18(15-21(16(2)3)13-12-20(8)9)14-19(6,7)22(17(4)5)25(10,23)24/h16-18H,11-15H2,1-10H3
InChIKeyWHGWORVENODDGB-UHFFFAOYSA-N
XLogP3.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide with MolForge

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Related Compounds

N-[5-[butan-2-yl(2-fluoroethyl)amino]-2,4-dimethylpentan-2-yl]-N-methylmethanesulfonamide
CID 88991751
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241793
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241826
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241903
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 20780604
N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide
CID 70811674
N-[2-cyclohexyl-2-(4-methylpiperazin-1-yl)ethyl]-N-propan-2-ylmethanesulfonamide
CID 71200877
N-tert-butyl-N-(4-methylhexyl)methanesulfonamide
CID 88991698
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidin-2-yl]methyl]methanesulfonamide
CID 89900814
N-[2-methyl-4-[[propan-2-yl(propyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241678

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide (CID 118241946) is N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide is CCC(CN(CCN(C)C)C(C)C)CC(C)(C)N(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is WHGWORVENODDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O2S/c1-11-18(15-21(16(2)3)13-12-20(8)9)14-19(6,7)22(17(4)5)25(10,23)24/h16-18H,11-15H2,1-10H3.
What are the key properties of N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide?
N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 377.64 g/mol, XLogP of 3.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 118241946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).