N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine

C13H21N3S — CID 62280369

IUPACN-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCSCC2)nc1
InChIInChI=1S/C13H21N3S/c1-11(2)14-9-12-3-4-13(15-10-12)16-5-7-17-8-6-16/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyMHCLNXWIFBIKMO-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.13
Rot. Bonds4

About N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine

N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (PubChem CID 62280369) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
PubChem CID62280369
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCSCC2)nc1
InChIInChI=1S/C13H21N3S/c1-11(2)14-9-12-3-4-13(15-10-12)16-5-7-17-8-6-16/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyMHCLNXWIFBIKMO-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
CID 165486620
4-methyl-1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azepan-4-ol
CID 107405429
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
N-[(5-chloro-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280716
4-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635959
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
CID 62121009

Frequently Asked Questions

What is the IUPAC name of N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine (CID 62280369) is N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is CC(C)NCc1ccc(N2CCSCC2)nc1.
What is the InChIKey of N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is MHCLNXWIFBIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-11(2)14-9-12-3-4-13(15-10-12)16-5-7-17-8-6-16/h3-4,10-11,14H,5-9H2,1-2H3.
What are the key properties of N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine?
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 62280369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).