N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide

C10H24N2O2S — CID 63688773

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-12(8-9(2)7-11)15(13,14)10(3,4)5/h9H,6-8,11H2,1-5H3
InChIKeyVSAZLSMYWITUPO-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.03
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide

N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide (PubChem CID 63688773) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide
PubChem CID63688773
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-6-12(8-9(2)7-11)15(13,14)10(3,4)5/h9H,6-8,11H2,1-5H3
InChIKeyVSAZLSMYWITUPO-UHFFFAOYSA-N
XLogP1.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide (CID 63688773) is N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide is CCN(CC(C)CN)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide?
The InChIKey is VSAZLSMYWITUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-6-12(8-9(2)7-11)15(13,14)10(3,4)5/h9H,6-8,11H2,1-5H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63688773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).