N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine

C10H17N3S — CID 80682977

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCn1cc(CCNC2CCSC2)cn1
InChIInChI=1S/C10H17N3S/c1-13-7-9(6-12-13)2-4-11-10-3-5-14-8-10/h6-7,10-11H,2-5,8H2,1H3
InChIKeyKSDNPOSFHSXTCD-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.06
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine (PubChem CID 80682977) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
PubChem CID80682977
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
SMILESCn1cc(CCNC2CCSC2)cn1
InChIInChI=1S/C10H17N3S/c1-13-7-9(6-12-13)2-4-11-10-3-5-14-8-10/h6-7,10-11H,2-5,8H2,1H3
InChIKeyKSDNPOSFHSXTCD-UHFFFAOYSA-N
XLogP1.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2-(1-methylpyrazol-4-yl)-1-(thiolan-3-ylamino)propan-2-ol
CID 115723352
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine (CID 80682977) is N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine is Cn1cc(CCNC2CCSC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
The InChIKey is KSDNPOSFHSXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-13-7-9(6-12-13)2-4-11-10-3-5-14-8-10/h6-7,10-11H,2-5,8H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 80682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).