N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine

C11H20N4S — CID 43296495

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)c1cnn(C)c1
InChIInChI=1S/C11H20N4S/c1-14-7-9(6-13-14)11(5-12)15(2)10-3-4-16-8-10/h6-7,10-11H,3-5,8,12H2,1-2H3
InChIKeySUMAULDPFQWNIQ-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.86
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 43296495) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID43296495
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)c1cnn(C)c1
InChIInChI=1S/C11H20N4S/c1-14-7-9(6-13-14)11(5-12)15(2)10-3-4-16-8-10/h6-7,10-11H,3-5,8,12H2,1-2H3
InChIKeySUMAULDPFQWNIQ-UHFFFAOYSA-N
XLogP0.86
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine (CID 43296495) is N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine is CN(C1CCSC1)C(CN)c1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is SUMAULDPFQWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-14-7-9(6-13-14)11(5-12)15(2)10-3-4-16-8-10/h6-7,10-11H,3-5,8,12H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 43296495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).