N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine

C10H19NO2S — CID 115819643

IUPACN,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
SMILESCC#CCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-6-7-8-9(11-4)10(2,3)14(5,12)13/h9,11H,8H2,1-5H3
InChIKeyJEPZUBVTFJQZDG-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds4

About N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine

N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine (PubChem CID 115819643) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
PubChem CID115819643
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
SMILESCC#CCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-6-7-8-9(11-4)10(2,3)14(5,12)13/h9,11H,8H2,1-5H3
InChIKeyJEPZUBVTFJQZDG-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
2-N,2-N-diethyl-3-N,2-dimethylhept-5-yne-2,3-diamine
CID 79055909
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
3-ethoxy-3-ethyl-N-methyloct-6-yn-4-amine
CID 116760027
3-ethyl-3-N,3-N,4-N-trimethyloct-6-yne-3,4-diamine
CID 79061875
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
1-methylsulfonylhex-4-yn-2-ol
CID 115601028
N,2-dimethyloct-6-yn-4-amine
CID 62312179
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
N-(1-methylsulfonylpropan-2-yl)but-2-yn-1-amine
CID 64629603

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine (CID 115819643) is N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine is CC#CCC(NC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine?
The InChIKey is JEPZUBVTFJQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-6-7-8-9(11-4)10(2,3)14(5,12)13/h9,11H,8H2,1-5H3.
What are the key properties of N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine?
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine is sourced from PubChem (CID 115819643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).