N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide

C17H38N2O2S — CID 121274624

IUPACN-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C(C)C)C(C)C)CC(C)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C17H38N2O2S/c1-10-16(13-19(14(3)4)15(5)6)12-17(7,11-2)18(8)22(9,20)21/h14-16H,10-13H2,1-9H3
InChIKeyHJHONWOUOKEWKM-UHFFFAOYSA-N
MW334.57 g/mol
LogP3.58
Rot. Bonds10

About N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide

N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide (PubChem CID 121274624) has the molecular formula C17H38N2O2S and a molecular weight of 334.57 g/mol. Its IUPAC name is N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide
PubChem CID121274624
Molecular FormulaC17H38N2O2S
Molecular Weight334.57 g/mol
Exact Mass334.27
IUPAC NameN-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide
SMILESCCC(CN(C(C)C)C(C)C)CC(C)(CC)N(C)S(C)(=O)=O
InChIInChI=1S/C17H38N2O2S/c1-10-16(13-19(14(3)4)15(5)6)12-17(7,11-2)18(8)22(9,20)21/h14-16H,10-13H2,1-9H3
InChIKeyHJHONWOUOKEWKM-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N-ethyl-N,3,5-trimethylheptan-3-amine
CID 155392706
N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241856
N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
CID 156566666
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
CID 118241891
N-(2-methylpropyl)-N-propan-2-ylbutan-2-amine
CID 139772547
N-[3,3-dimethyl-5-[(S)-methylsulfinyl]-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241803
N-(1-amino-2-methylbutan-2-yl)-N,2-dimethylpropane-2-sulfonamide
CID 63690060
N-ethyl-N-propan-2-ylbutan-2-amine
CID 20659804
2-amino-2-methyl-4-[[methyl(sulfino)amino]methyl]hexane
CID 175620647

Frequently Asked Questions

What is the IUPAC name of N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide (CID 121274624) is N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide is CCC(CN(C(C)C)C(C)C)CC(C)(CC)N(C)S(C)(=O)=O.
What is the InChIKey of N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is HJHONWOUOKEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2S/c1-10-16(13-19(14(3)4)15(5)6)12-17(7,11-2)18(8)22(9,20)21/h14-16H,10-13H2,1-9H3.
What are the key properties of N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide?
N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 334.57 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 121274624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).