1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine

C16H24N2S — CID 102671339

IUPAC1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
SMILESCC1SCCC1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2S/c1-13-16(8-10-19-13)17-15-7-9-18(12-15)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyTXJVMDIMDCDIDX-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.74
Rot. Bonds4

About 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine

1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine (PubChem CID 102671339) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
PubChem CID102671339
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
SMILESCC1SCCC1NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2S/c1-13-16(8-10-19-13)17-15-7-9-18(12-15)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyTXJVMDIMDCDIDX-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
N-(1-benzylpyrrolidin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752309
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
CID 102671684
1-benzyl-N-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 43615007
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(5,5-dimethylthian-3-yl)pyrrolidin-3-amine
CID 79953618

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine (CID 102671339) is 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine is CC1SCCC1NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine?
The InChIKey is TXJVMDIMDCDIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-13-16(8-10-19-13)17-15-7-9-18(12-15)11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3.
What are the key properties of 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine?
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine has a molecular weight of 276.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 102671339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).