N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide

C11H26N2O2S — CID 63687287

IUPACN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-7-11(8-2,9-12)13(6)16(14,15)10(3,4)5/h7-9,12H2,1-6H3
InChIKeyWHTNWPCBVZCXOA-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.56
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide (PubChem CID 63687287) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
PubChem CID63687287
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-7-11(8-2,9-12)13(6)16(14,15)10(3,4)5/h7-9,12H2,1-6H3
InChIKeyWHTNWPCBVZCXOA-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide (CID 63687287) is N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The InChIKey is WHTNWPCBVZCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-7-11(8-2,9-12)13(6)16(14,15)10(3,4)5/h7-9,12H2,1-6H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethylpropane-2-sulfonamide is sourced from PubChem (CID 63687287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).