2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol

C13H19NOS — CID 61449195

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
SMILESOC1CCCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c15-13-5-1-4-12(13)14(10-6-7-10)9-11-3-2-8-16-11/h2-3,8,10,12-13,15H,1,4-7,9H2
InChIKeyPHYDHTNGWXPONC-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.63
Rot. Bonds4

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol

2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol (PubChem CID 61449195) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
PubChem CID61449195
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
SMILESOC1CCCC1N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c15-13-5-1-4-12(13)14(10-6-7-10)9-11-3-2-8-16-11/h2-3,8,10,12-13,15H,1,4-7,9H2
InChIKeyPHYDHTNGWXPONC-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
trans-(1R,2R)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734532
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609943
N-cyclopropyl-N-(thiophen-2-ylmethyl)azetidin-3-amine
CID 62784619
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
N-cyclopropyl-2-(methylaminomethyl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996656
N-cyclopropyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996992
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61449689
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61450752
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol (CID 61449195) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol is OC1CCCC1N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
The InChIKey is PHYDHTNGWXPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-13-5-1-4-12(13)14(10-6-7-10)9-11-3-2-8-16-11/h2-3,8,10,12-13,15H,1,4-7,9H2.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 61449195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).