cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

C11H17NS — CID 95376419

IUPACcis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](NCc2cccs2)C1
InChIInChI=1S/C11H17NS/c1-9-4-5-10(7-9)12-8-11-3-2-6-13-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyLSLVROLVMIOEPW-VHSXEESVSA-N
MW195.33 g/mol
LogP3.03
Rot. Bonds3

About cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (PubChem CID 95376419) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
PubChem CID95376419
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Namecis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESC[C@H]1CC[C@@H](NCc2cccs2)C1
InChIInChI=1S/C11H17NS/c1-9-4-5-10(7-9)12-8-11-3-2-6-13-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyLSLVROLVMIOEPW-VHSXEESVSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 131154099
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
ethyl 4-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54867048
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558820

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (CID 95376419) is cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is C[C@H]1CC[C@@H](NCc2cccs2)C1.
What is the InChIKey of cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is LSLVROLVMIOEPW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-4-5-10(7-9)12-8-11-3-2-6-13-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 95376419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).