2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine

C10H19NO2S2 — CID 115742156

IUPAC2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
SMILESC#CCSCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S2/c1-5-7-14-8-6-11-9-10(2,3)15(4,12)13/h1,11H,6-9H2,2-4H3
InChIKeyOSDSNNLSVGAABO-UHFFFAOYSA-N
MW249.40 g/mol
LogP0.77
Rot. Bonds7

About 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine

2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine (PubChem CID 115742156) has the molecular formula C10H19NO2S2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
PubChem CID115742156
Molecular FormulaC10H19NO2S2
Molecular Weight249.40 g/mol
Exact Mass249.09
IUPAC Name2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
SMILESC#CCSCCNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S2/c1-5-7-14-8-6-11-9-10(2,3)15(4,12)13/h1,11H,6-9H2,2-4H3
InChIKeyOSDSNNLSVGAABO-UHFFFAOYSA-N
XLogP0.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755
2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]butan-2-ol
CID 79551403
2,2-dimethyl-4-(2-prop-2-ynylsulfanylethylamino)butanenitrile
CID 106428735
3-(2-methylsulfonylethylsulfanyl)prop-1-yne
CID 63658323
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551937
2,2-dimethyl-6-(2-prop-2-ynylsulfanylethylamino)hexanenitrile
CID 106428439
3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428536
2,2-difluoro-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 114187683
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103179174
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-(2-methyl-2-methylsulfonylpropyl)hept-6-en-1-amine
CID 107006950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine (CID 115742156) is 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine is C#CCSCCNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
The InChIKey is OSDSNNLSVGAABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S2/c1-5-7-14-8-6-11-9-10(2,3)15(4,12)13/h1,11H,6-9H2,2-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine?
2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 115742156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).