N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

C15H23NS2 — CID 113350069

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NC(c2cccs2)C2CC2)C1
InChIInChI=1S/C15H23NS2/c1-17-13-5-2-4-12(10-13)16-15(11-7-8-11)14-6-3-9-18-14/h3,6,9,11-13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyXOVLFZFXJYRIFQ-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.46
Rot. Bonds5

About N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 113350069) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID113350069
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NC(c2cccs2)C2CC2)C1
InChIInChI=1S/C15H23NS2/c1-17-13-5-2-4-12(10-13)16-15(11-7-8-11)14-6-3-9-18-14/h3,6,9,11-13,15-16H,2,4-5,7-8,10H2,1H3
InChIKeyXOVLFZFXJYRIFQ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopropyl(thiophen-2-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103926276
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 113350069) is N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NC(c2cccs2)C2CC2)C1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is XOVLFZFXJYRIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-17-13-5-2-4-12(10-13)16-15(11-7-8-11)14-6-3-9-18-14/h3,6,9,11-13,15-16H,2,4-5,7-8,10H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 113350069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).