1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol

C11H18N2OS — CID 66352154

IUPAC1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
SMILESOC(CNc1ccsc1)CN1CCCC1
InChIInChI=1S/C11H18N2OS/c14-11(8-13-4-1-2-5-13)7-12-10-3-6-15-9-10/h3,6,9,11-12,14H,1-2,4-5,7-8H2
InChIKeyZFSLRPBDTXYWHS-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.62
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol

1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol (PubChem CID 66352154) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
PubChem CID66352154
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
SMILESOC(CNc1ccsc1)CN1CCCC1
InChIInChI=1S/C11H18N2OS/c14-11(8-13-4-1-2-5-13)7-12-10-3-6-15-9-10/h3,6,9,11-12,14H,1-2,4-5,7-8H2
InChIKeyZFSLRPBDTXYWHS-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10380266
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate
CID 103255776
1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
CID 107644260
1-[di(thiophen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
CID 110183081
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol (CID 66352154) is 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol is OC(CNc1ccsc1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
The InChIKey is ZFSLRPBDTXYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-11(8-13-4-1-2-5-13)7-12-10-3-6-15-9-10/h3,6,9,11-12,14H,1-2,4-5,7-8H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol?
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol is sourced from PubChem (CID 66352154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).