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

C10H24N2O2S — CID 63688202

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-8,11H2,1-5H3
InChIKeyPRHAAFQCNLIWBA-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.22
Rot. Bonds5

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

N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide (PubChem CID 63688202) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide
PubChem CID63688202
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-8,11H2,1-5H3
InChIKeyPRHAAFQCNLIWBA-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide (CID 63688202) is N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide is CCC(CC)(CN)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is PRHAAFQCNLIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-6-10(7-2,8-11)12-15(13,14)9(3,4)5/h12H,6-8,11H2,1-5H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63688202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).