N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine

C12H17NS — CID 51921587

IUPACN-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
SMILESc1csc([C@H](NC2CCC2)C2CC2)c1
InChIInChI=1S/C12H17NS/c1-3-10(4-1)13-12(9-6-7-9)11-5-2-8-14-11/h2,5,8-10,12-13H,1,3-4,6-7H2/t12-/m1/s1
InChIKeyURXMYYOYTKOXSP-GFCCVEGCSA-N
MW207.34 g/mol
LogP3.34
Rot. Bonds4

About N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine

N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine (PubChem CID 51921587) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
PubChem CID51921587
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
SMILESc1csc([C@H](NC2CCC2)C2CC2)c1
InChIInChI=1S/C12H17NS/c1-3-10(4-1)13-12(9-6-7-9)11-5-2-8-14-11/h2,5,8-10,12-13H,1,3-4,6-7H2/t12-/m1/s1
InChIKeyURXMYYOYTKOXSP-GFCCVEGCSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113350069
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine (CID 51921587) is N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine is c1csc([C@H](NC2CCC2)C2CC2)c1.
What is the InChIKey of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine?
The InChIKey is URXMYYOYTKOXSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-10(4-1)13-12(9-6-7-9)11-5-2-8-14-11/h2,5,8-10,12-13H,1,3-4,6-7H2/t12-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine?
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine has a molecular weight of 207.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 51921587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).