3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine

C15H24ClN3S — CID 62280428

IUPAC3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
SMILESCC(C)CNCc1cnc(N(C)C2CCSC2)c(Cl)c1
InChIInChI=1S/C15H24ClN3S/c1-11(2)7-17-8-12-6-14(16)15(18-9-12)19(3)13-4-5-20-10-13/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3
InChIKeyVUFSYQWEKFRNHZ-UHFFFAOYSA-N
MW313.90 g/mol
LogP3.42
Rot. Bonds6

About 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine

3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 62280428) has the molecular formula C15H24ClN3S and a molecular weight of 313.90 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID62280428
Molecular FormulaC15H24ClN3S
Molecular Weight313.90 g/mol
Exact Mass313.14
IUPAC Name3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
SMILESCC(C)CNCc1cnc(N(C)C2CCSC2)c(Cl)c1
InChIInChI=1S/C15H24ClN3S/c1-11(2)7-17-8-12-6-14(16)15(18-9-12)19(3)13-4-5-20-10-13/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3
InChIKeyVUFSYQWEKFRNHZ-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine (CID 62280428) is 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine is CC(C)CNCc1cnc(N(C)C2CCSC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is VUFSYQWEKFRNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3S/c1-11(2)7-17-8-12-6-14(16)15(18-9-12)19(3)13-4-5-20-10-13/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine?
3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 313.90 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 62280428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).