N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine

C14H22N2OS — CID 113371002

IUPACN-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NCC1(C)CCCS1
InChIInChI=1S/C14H22N2OS/c1-11(2)17-12-6-4-8-15-13(12)16-10-14(3)7-5-9-18-14/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,15,16)
InChIKeyZRSZAODFLLZMDW-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.57
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine

N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 113371002) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine
PubChem CID113371002
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NCC1(C)CCCS1
InChIInChI=1S/C14H22N2OS/c1-11(2)17-12-6-4-8-15-13(12)16-10-14(3)7-5-9-18-14/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,15,16)
InChIKeyZRSZAODFLLZMDW-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638297
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
CID 80527912
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
3-ethyl-1-[(3-propan-2-yloxy-2-pyridinyl)amino]pentan-2-ol
CID 106287839
N-(4-methylpiperidin-4-yl)-3-propan-2-yloxypyridin-2-amine
CID 114697347
6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80927117
3-fluoro-2-[(2-methylthiolan-2-yl)methylamino]pyridine-4-carboxylic acid
CID 105382516
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
N-(3-methyloxolan-3-yl)-3-propan-2-yloxypyridin-2-amine
CID 113482121

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine (CID 113371002) is N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1NCC1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is ZRSZAODFLLZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)17-12-6-4-8-15-13(12)16-10-14(3)7-5-9-18-14/h4,6,8,11H,5,7,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine?
N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 113371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).