N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide

C10H24N2O3S — CID 62007659

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H24N2O3S/c1-5-10(6-2,9-11)12(3)16(13,14)8-7-15-4/h5-9,11H2,1-4H3
InChIKeyOFQHPYNEZIWLJB-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.41
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide (PubChem CID 62007659) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide
PubChem CID62007659
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CCOC
InChIInChI=1S/C10H24N2O3S/c1-5-10(6-2,9-11)12(3)16(13,14)8-7-15-4/h5-9,11H2,1-4H3
InChIKeyOFQHPYNEZIWLJB-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
CID 55172877
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172878
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175079
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655
N-[3-(aminomethyl)pentan-3-yl]-2-ethoxy-N-ethylethanesulfonamide
CID 55175847
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
CID 56790202
N-[3-(aminomethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 61608687

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide (CID 62007659) is N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CCOC.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide?
The InChIKey is OFQHPYNEZIWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-10(6-2,9-11)12(3)16(13,14)8-7-15-4/h5-9,11H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 62007659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).