N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine

C10H17NS — CID 105077554

IUPACN-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
SMILESC#CCC(NC)C1(C)CCCS1
InChIInChI=1S/C10H17NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h1,9,11H,5-8H2,2-3H3
InChIKeyLAYDNRWZKWXBRK-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.88
Rot. Bonds3

About N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine

N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine (PubChem CID 105077554) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
PubChem CID105077554
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
SMILESC#CCC(NC)C1(C)CCCS1
InChIInChI=1S/C10H17NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h1,9,11H,5-8H2,2-3H3
InChIKeyLAYDNRWZKWXBRK-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine (CID 105077554) is N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine is C#CCC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine?
The InChIKey is LAYDNRWZKWXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-6-9(11-3)10(2)7-5-8-12-10/h1,9,11H,5-8H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine?
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine has a molecular weight of 183.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine is sourced from PubChem (CID 105077554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).