N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

C19H43N3O2S — CID 118241778

IUPACN-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(CCN(CC)CC)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C19H43N3O2S/c1-10-18(15-19(6,7)20(8)25(9,23)24)16-22(17(4)5)14-13-21(11-2)12-3/h17-18H,10-16H2,1-9H3
InChIKeyLEKVRHDKDRFIAM-UHFFFAOYSA-N
MW377.64 g/mol
LogP3.12
Rot. Bonds13

About N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide

N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (PubChem CID 118241778) has the molecular formula C19H43N3O2S and a molecular weight of 377.64 g/mol. Its IUPAC name is N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
PubChem CID118241778
Molecular FormulaC19H43N3O2S
Molecular Weight377.64 g/mol
Exact Mass377.31
IUPAC NameN-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(CCN(CC)CC)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C19H43N3O2S/c1-10-18(15-19(6,7)20(8)25(9,23)24)16-22(17(4)5)14-13-21(11-2)12-3/h17-18H,10-16H2,1-9H3
InChIKeyLEKVRHDKDRFIAM-UHFFFAOYSA-N
XLogP3.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
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-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide (CID 118241778) is N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is CCC(CN(CCN(CC)CC)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is LEKVRHDKDRFIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3O2S/c1-10-18(15-19(6,7)20(8)25(9,23)24)16-22(17(4)5)14-13-21(11-2)12-3/h17-18H,10-16H2,1-9H3.
What are the key properties of N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide?
N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 377.64 g/mol, XLogP of 3.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(diethylamino)ethyl-propan-2-ylamino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118241778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).