1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine

C14H22N2S — CID 77092531

IUPAC1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(C3CCCC3)s2)C1
InChIInChI=1S/C14H22N2S/c15-12-7-8-16(9-12)10-13-5-6-14(17-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10,15H2
InChIKeyIUTVTSJOFXNLBZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.94
Rot. Bonds3

About 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine

1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 77092531) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
PubChem CID77092531
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(C3CCCC3)s2)C1
InChIInChI=1S/C14H22N2S/c15-12-7-8-16(9-12)10-13-5-6-14(17-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10,15H2
InChIKeyIUTVTSJOFXNLBZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
(2S,4R)-4-amino-1-[(5-cyclohexylthiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70737374
(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
(1S,5R)-3-[(5-cyclohexylthiophen-2-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 74237134
3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 56717845
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556033
3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108
(3R,4R)-1-[(5-cyclopentylthiophen-2-yl)methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-3-ol
CID 42099218
(3S)-1-[(4-bromo-5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836308
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600117

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine (CID 77092531) is 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2ccc(C3CCCC3)s2)C1.
What is the InChIKey of 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is IUTVTSJOFXNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c15-12-7-8-16(9-12)10-13-5-6-14(17-13)11-3-1-2-4-11/h5-6,11-12H,1-4,7-10,15H2.
What are the key properties of 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine?
1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 77092531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).