3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol

C11H17NOS — CID 115646628

IUPAC3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1cccs1)C1CC1
InChIInChI=1S/C11H17NOS/c13-6-5-11(9-3-4-9)12-8-10-2-1-7-14-10/h1-2,7,9,11-13H,3-6,8H2
InChIKeyLCUFSAKAXRCBLJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.00
Rot. Bonds6

About 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol

3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 115646628) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID115646628
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1cccs1)C1CC1
InChIInChI=1S/C11H17NOS/c13-6-5-11(9-3-4-9)12-8-10-2-1-7-14-10/h1-2,7,9,11-13H,3-6,8H2
InChIKeyLCUFSAKAXRCBLJ-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 104575807
3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
CID 115646629
methyl 3-cyclobutyl-3-(thiophen-2-ylmethylamino)propanoate
CID 134162056
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111457458
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
3-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 111457473
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol (CID 115646628) is 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol is OCCC(NCc1cccs1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is LCUFSAKAXRCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c13-6-5-11(9-3-4-9)12-8-10-2-1-7-14-10/h1-2,7,9,11-13H,3-6,8H2.
What are the key properties of 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol?
3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 115646628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).