2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol

C11H18N2S — CID 91261751

IUPAC2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
SMILESCN(Cc1ccccn1)CC(C)(C)S
InChIInChI=1S/C11H18N2S/c1-11(2,14)9-13(3)8-10-6-4-5-7-12-10/h4-7,14H,8-9H2,1-3H3
InChIKeyQSGJTRLNTCBHHU-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol

2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol (PubChem CID 91261751) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
PubChem CID91261751
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
SMILESCN(Cc1ccccn1)CC(C)(C)S
InChIInChI=1S/C11H18N2S/c1-11(2,14)9-13(3)8-10-6-4-5-7-12-10/h4-7,14H,8-9H2,1-3H3
InChIKeyQSGJTRLNTCBHHU-UHFFFAOYSA-N
XLogP2.22
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 65003475
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol?
The IUPAC name of 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol (CID 91261751) is 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol.
What is the SMILES notation for 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol?
The canonical SMILES for 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol is CN(Cc1ccccn1)CC(C)(C)S.
What is the InChIKey of 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol?
The InChIKey is QSGJTRLNTCBHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-11(2,14)9-13(3)8-10-6-4-5-7-12-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol?
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol has a molecular weight of 210.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol is sourced from PubChem (CID 91261751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).