1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine

C9H15N3S2 — CID 79972695

IUPAC1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)C1CSCCS1
InChIInChI=1S/C9H15N3S2/c1-12-7(2-3-11-12)9(10)8-6-13-4-5-14-8/h2-3,8-9H,4-6,10H2,1H3
InChIKeyFCUPCXFIEAFJJC-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.27
Rot. Bonds2

About 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine

1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine (PubChem CID 79972695) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine
PubChem CID79972695
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)C1CSCCS1
InChIInChI=1S/C9H15N3S2/c1-12-7(2-3-11-12)9(10)8-6-13-4-5-14-8/h2-3,8-9H,4-6,10H2,1H3
InChIKeyFCUPCXFIEAFJJC-UHFFFAOYSA-N
XLogP1.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrazol-3-yl)-(1,4-oxathian-2-yl)methanamine
CID 79963929
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dithian-2-yl)methanamine
CID 114658031
1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 79972080
(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
6-bicyclo[3.1.0]hexanyl-(2-methylpyrazol-3-yl)methanamine
CID 115858458
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
CID 65392017
1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine
CID 104738535
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189955
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189956
1,4-dithian-2-yl(thiophen-3-yl)methanamine
CID 79970704

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine (CID 79972695) is 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is FCUPCXFIEAFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-12-7(2-3-11-12)9(10)8-6-13-4-5-14-8/h2-3,8-9H,4-6,10H2,1H3.
What are the key properties of 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine?
1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 229.37 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 79972695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).