N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C12H26N2O3S — CID 55175079

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyHRWZGSSAFMHBOF-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.94
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55175079) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55175079
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyHRWZGSSAFMHBOF-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 55175079) is N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is HRWZGSSAFMHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(5-2,10-13)14(3)18(15,16)9-11-7-6-8-17-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.94, 7 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]-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55175079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).