5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine

C10H17N3S — CID 106209176

IUPAC5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCC1CC(NC(C)c2cn[nH]c2)CS1
InChIInChI=1S/C10H17N3S/c1-7-3-10(6-14-7)13-8(2)9-4-11-12-5-9/h4-5,7-8,10,13H,3,6H2,1-2H3,(H,11,12)
InChIKeyKQEAFPCJSGKFKE-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.95
Rot. Bonds3

About 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine

5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 106209176) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
PubChem CID106209176
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCC1CC(NC(C)c2cn[nH]c2)CS1
InChIInChI=1S/C10H17N3S/c1-7-3-10(6-14-7)13-8(2)9-4-11-12-5-9/h4-5,7-8,10,13H,3,6H2,1-2H3,(H,11,12)
InChIKeyKQEAFPCJSGKFKE-UHFFFAOYSA-N
XLogP1.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hexylsulfanylethyl)-1H-pyrazole
CID 20040867
2,2-dimethyl-N'-[1-(1H-pyrazol-4-yl)ethyl]propane-1,3-diamine
CID 21698288
N'-[1-(1H-pyrazol-4-yl)ethyl]propane-1,3-diamine
CID 54152305
N-ethyl-1-(1H-pyrazol-4-yl)ethanamine
CID 62732042
N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 69860257
4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole
CID 149148160
4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole
CID 170965101
5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine
CID 173196989
4-(2-butylsulfanylethyl)-1H-pyrazole
CID 174263845
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43663443
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 60762357
N-(1H-pyrazol-4-ylmethyl)thiolan-3-amine
CID 60999660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine (CID 106209176) is 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine is CC1CC(NC(C)c2cn[nH]c2)CS1.
What is the InChIKey of 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is KQEAFPCJSGKFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-3-10(6-14-7)13-8(2)9-4-11-12-5-9/h4-5,7-8,10,13H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine?
5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 106209176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).