N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine

C13H20N2S — CID 115722083

IUPACN-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine
SMILESCC(C)C(NC1CCSC1)c1ccccn1
InChIInChI=1S/C13H20N2S/c1-10(2)13(12-5-3-4-7-14-12)15-11-6-8-16-9-11/h3-5,7,10-11,13,15H,6,8-9H2,1-2H3
InChIKeyCVMPYWJQECWPBL-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.87
Rot. Bonds4

About N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine

N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine (PubChem CID 115722083) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine
PubChem CID115722083
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine
SMILESCC(C)C(NC1CCSC1)c1ccccn1
InChIInChI=1S/C13H20N2S/c1-10(2)13(12-5-3-4-7-14-12)15-11-6-8-16-9-11/h3-5,7,10-11,13,15H,6,8-9H2,1-2H3
InChIKeyCVMPYWJQECWPBL-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
(3R)-N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139908
(3R)-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]thiolan-3-amine
CID 125139910
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
CID 103779622
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(1R)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 96569272
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,4-dithiepan-6-amine
CID 95222175

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine?
The IUPAC name of N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine (CID 115722083) is N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine.
What is the SMILES notation for N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine?
The canonical SMILES for N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine is CC(C)C(NC1CCSC1)c1ccccn1.
What is the InChIKey of N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine?
The InChIKey is CVMPYWJQECWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10(2)13(12-5-3-4-7-14-12)15-11-6-8-16-9-11/h3-5,7,10-11,13,15H,6,8-9H2,1-2H3.
What are the key properties of N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine?
N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine has a molecular weight of 236.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyridin-2-ylpropyl)thiolan-3-amine is sourced from PubChem (CID 115722083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).