2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine

C11H18N2S2 — CID 103701163

IUPAC2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1csc(C)n1
InChIInChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-12-10-4-3-5-11(10)14-2/h7,10-12H,3-6H2,1-2H3
InChIKeyALVPGWVUQLYSGW-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.83
Rot. Bonds4

About 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine

2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 103701163) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID103701163
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
SMILESCSC1CCCC1NCc1csc(C)n1
InChIInChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-12-10-4-3-5-11(10)14-2/h7,10-12H,3-6H2,1-2H3
InChIKeyALVPGWVUQLYSGW-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 124739593
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701176
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128972573
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine (CID 103701163) is 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is CSC1CCCC1NCc1csc(C)n1.
What is the InChIKey of 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is ALVPGWVUQLYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-13-9(7-15-8)6-12-10-4-3-5-11(10)14-2/h7,10-12H,3-6H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine?
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103701163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).