N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide

C17H38N2O4S2 — CID 118241856

IUPACN-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCS(C)(=O)=O)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C17H38N2O4S2/c1-9-10-16(13-17(4,5)18(6)25(8,22)23)14-19(15(2)3)11-12-24(7,20)21/h15-16H,9-14H2,1-8H3
InChIKeyGOBXHMWXPPBYAE-UHFFFAOYSA-N
MW398.64 g/mol
LogP2.22
Rot. Bonds12

About N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241856) has the molecular formula C17H38N2O4S2 and a molecular weight of 398.64 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241856
Molecular FormulaC17H38N2O4S2
Molecular Weight398.64 g/mol
Exact Mass398.23
IUPAC NameN-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CCS(C)(=O)=O)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C17H38N2O4S2/c1-9-10-16(13-17(4,5)18(6)25(8,22)23)14-19(15(2)3)11-12-24(7,20)21/h15-16H,9-14H2,1-8H3
InChIKeyGOBXHMWXPPBYAE-UHFFFAOYSA-N
XLogP2.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-methyl-N-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)heptan-2-yl]methanesulfonamide
CID 118241892
N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide
CID 118241872
2,2-dimethyl-N-(2-methylsulfonylethyl)-N-propan-2-ylpropan-1-amine
CID 146251531
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
CID 118241891
N-ethyl-N-(2-methylsulfonylethyl)heptan-4-amine
CID 155420092
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
CID 118241694
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
N-methyl-N-(2-methylsulfonylethyl)propane-1-sulfonamide
CID 78925049
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79850305
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide
CID 121274624
1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide
CID 79859271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241856) is N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is CCCC(CN(CCS(C)(=O)=O)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is GOBXHMWXPPBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O4S2/c1-9-10-16(13-17(4,5)18(6)25(8,22)23)14-19(15(2)3)11-12-24(7,20)21/h15-16H,9-14H2,1-8H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 398.64 g/mol, XLogP of 2.22, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).