1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C14H22ClNS — CID 55186774

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClNS/c1-10(2)11-5-7-14(16,8-6-11)9-12-3-4-13(15)17-12/h3-4,10-11H,5-9,16H2,1-2H3
InChIKeyCSTYOXXHGUGMBS-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.49
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55186774) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID55186774
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H22ClNS/c1-10(2)11-5-7-14(16,8-6-11)9-12-3-4-13(15)17-12/h3-4,10-11H,5-9,16H2,1-2H3
InChIKeyCSTYOXXHGUGMBS-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 55186774) is 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CSTYOXXHGUGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-10(2)11-5-7-14(16,8-6-11)9-12-3-4-13(15)17-12/h3-4,10-11H,5-9,16H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 271.86 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55186774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).