N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine

C10H17N3S — CID 121020811

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
SMILESCN(Cc1ccnn1C)C1CCSC1
InChIInChI=1S/C10H17N3S/c1-12(10-4-6-14-8-10)7-9-3-5-11-13(9)2/h3,5,10H,4,6-8H2,1-2H3
InChIKeyCTSZRBQXLLKNEL-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine (PubChem CID 121020811) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
PubChem CID121020811
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine
SMILESCN(Cc1ccnn1C)C1CCSC1
InChIInChI=1S/C10H17N3S/c1-12(10-4-6-14-8-10)7-9-3-5-11-13(9)2/h3,5,10H,4,6-8H2,1-2H3
InChIKeyCTSZRBQXLLKNEL-UHFFFAOYSA-N
XLogP1.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
N-[(5-bromofuran-2-yl)methyl]-N-methylthiolan-3-amine
CID 130863024
[5-[[methyl(thiolan-3-yl)amino]methyl]furan-2-yl]methanol
CID 115880216
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
N-[(5-chloropyrazin-2-yl)methyl]-N-methylthiolan-3-amine
CID 103054068
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
(3S)-N-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylthiolan-3-amine
CID 99857580
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
4-N-[(2-methylpyrazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111703

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine (CID 121020811) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine is CN(Cc1ccnn1C)C1CCSC1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine?
The InChIKey is CTSZRBQXLLKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-12(10-4-6-14-8-10)7-9-3-5-11-13(9)2/h3,5,10H,4,6-8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 121020811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).