N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine

C14H22N2S — CID 56715283

IUPACN-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine
SMILESCc1cccnc1CC(C)NC1CCSCC1
InChIInChI=1S/C14H22N2S/c1-11-4-3-7-15-14(11)10-12(2)16-13-5-8-17-9-6-13/h3-4,7,12-13,16H,5-6,8-10H2,1-2H3
InChIKeyCVRRHZJGVVAEHX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine

N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine (PubChem CID 56715283) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine
PubChem CID56715283
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine
SMILESCc1cccnc1CC(C)NC1CCSCC1
InChIInChI=1S/C14H22N2S/c1-11-4-3-7-15-14(11)10-12(2)16-13-5-8-17-9-6-13/h3-4,7,12-13,16H,5-6,8-10H2,1-2H3
InChIKeyCVRRHZJGVVAEHX-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dicyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112650218
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
N-butan-2-ylthiepan-4-amine
CID 164646547
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine (CID 56715283) is N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine is Cc1cccnc1CC(C)NC1CCSCC1.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine?
The InChIKey is CVRRHZJGVVAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-4-3-7-15-14(11)10-12(2)16-13-5-8-17-9-6-13/h3-4,7,12-13,16H,5-6,8-10H2,1-2H3.
What are the key properties of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine?
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine has a molecular weight of 250.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]thian-4-amine is sourced from PubChem (CID 56715283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).