N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine

C10H17N3S — CID 83196394

IUPACN-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
SMILESCNC1CSCC1Cc1cnn(C)c1
InChIInChI=1S/C10H17N3S/c1-11-10-7-14-6-9(10)3-8-4-12-13(2)5-8/h4-5,9-11H,3,6-7H2,1-2H3
InChIKeySJOXUUXZEOFCMT-UHFFFAOYSA-N
MW211.33 g/mol
LogP0.91
Rot. Bonds3

About N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine

N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine (PubChem CID 83196394) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
PubChem CID83196394
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
SMILESCNC1CSCC1Cc1cnn(C)c1
InChIInChI=1S/C10H17N3S/c1-11-10-7-14-6-9(10)3-8-4-12-13(2)5-8/h4-5,9-11H,3,6-7H2,1-2H3
InChIKeySJOXUUXZEOFCMT-UHFFFAOYSA-N
XLogP0.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128172
4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103004599
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 62126946
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83197030
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196608
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine?
The IUPAC name of N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine (CID 83196394) is N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine is CNC1CSCC1Cc1cnn(C)c1.
What is the InChIKey of N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine?
The InChIKey is SJOXUUXZEOFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-10-7-14-6-9(10)3-8-4-12-13(2)5-8/h4-5,9-11H,3,6-7H2,1-2H3.
What are the key properties of N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine?
N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).