1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine

C9H15NS — CID 12910988

IUPAC1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCS1
InChIInChI=1S/C9H15NS/c1-2-6-10(5-1)9-4-3-7-11-8-9/h8H,1-7H2
InChIKeyXRRMZOITDVOODS-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.45
Rot. Bonds1

About 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine

1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine (PubChem CID 12910988) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine
PubChem CID12910988
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCS1
InChIInChI=1S/C9H15NS/c1-2-6-10(5-1)9-4-3-7-11-8-9/h8H,1-7H2
InChIKeyXRRMZOITDVOODS-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,6-Dihydro-2H-thiopyran-4-yl)pyrrolidine
CID 13287468
1-(4,5-Dihydrothiophen-3-yl)piperidine
CID 14838733
1-Methyl-2-methylidene-4-methylsulfanylpyrrolidine
CID 58709431
2,5-Dimethylidene-1-(2-methylidene-4-prop-1-en-2-ylsulfanylbutyl)pyrrolidine
CID 89223896
2-Methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
CID 123480432
1-Methyl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
CID 130293284
3-Ethylsulfanyl-1-methyl-2,5-dimethylidenepyrrolidine
CID 137505121
2,5-Dimethylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
CID 138475647
5-Ethyl-3-methyl-2-methylidene-4-propa-1,2-dienylidene-1,3-thiazolidine
CID 139326385
2-(2-Methylidenepyrrolidin-1-yl)ethanethiol
CID 142105892
1,5-Dimethyl-2-methylidene-3-propan-2-ylsulfanylpyrrolidine
CID 156553697
1-Butan-2-yl-2,5-dimethylidene-3-methylsulfanylpyrrolidine
CID 166654541

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine?
The IUPAC name of 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine (CID 12910988) is 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine?
The canonical SMILES for 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine is C1=C(N2CCCC2)CCCS1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine?
The InChIKey is XRRMZOITDVOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-6-10(5-1)9-4-3-7-11-8-9/h8H,1-7H2.
What are the key properties of 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine?
1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiopyran-5-yl)pyrrolidine is sourced from PubChem (CID 12910988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).