1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol

C14H24N2OS — CID 112661743

IUPAC1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(CC)CSC)cn1
InChIInChI=1S/C14H24N2OS/c1-5-11(10-18-4)16(3)12-7-8-13(15-9-12)14(17)6-2/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyBRFFDZAPZNGRDB-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.10
Rot. Bonds7

About 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol

1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 112661743) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
PubChem CID112661743
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C(CC)CSC)cn1
InChIInChI=1S/C14H24N2OS/c1-5-11(10-18-4)16(3)12-7-8-13(15-9-12)14(17)6-2/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyBRFFDZAPZNGRDB-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
N'-hydroxy-5-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136920625
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanol
CID 112661746
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
6-(aminomethyl)-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 115486871
(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]propan-1-ol
CID 113359068
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol (CID 112661743) is 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)C(CC)CSC)cn1.
What is the InChIKey of 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is BRFFDZAPZNGRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-11(10-18-4)16(3)12-7-8-13(15-9-12)14(17)6-2/h7-9,11,14,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).