2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide

C13H28N2OS — CID 72527729

IUPAC2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide
SMILESCN1CCCCC(NS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C13H28N2OS/c1-13(2,3)17(16)14-12-8-5-6-10-15(4)11-7-9-12/h12,14H,5-11H2,1-4H3
InChIKeyCNEBIFUTHJRTOC-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide

2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide (PubChem CID 72527729) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide
PubChem CID72527729
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide
SMILESCN1CCCCC(NS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C13H28N2OS/c1-13(2,3)17(16)14-12-8-5-6-10-15(4)11-7-9-12/h12,14H,5-11H2,1-4H3
InChIKeyCNEBIFUTHJRTOC-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4R)-azepan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408726
benzyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]azepane-1-carboxylate
CID 57463511
N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
CID 89030418
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine
CID 143216901
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
CID 68772535
CID 68772535
(S)-N-[(1R)-1-cyclohexylpropyl]-2-methylpropane-2-sulfinamide
CID 124563966
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
methyl-N-[(4S)-1-methylazepan-4-yl]boronamidic acid
CID 59142730
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide (CID 72527729) is 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide is CN1CCCCC(NS(=O)C(C)(C)C)CCC1.
What is the InChIKey of 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide?
The InChIKey is CNEBIFUTHJRTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-13(2,3)17(16)14-12-8-5-6-10-15(4)11-7-9-12/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide?
2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide has a molecular weight of 260.45 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylazonan-5-yl)propane-2-sulfinamide is sourced from PubChem (CID 72527729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).