2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine

C13H19NS — CID 102671342

IUPAC2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine
SMILESCc1ccc(CNC2CCSC2C)cc1
InChIInChI=1S/C13H19NS/c1-10-3-5-12(6-4-10)9-14-13-7-8-15-11(13)2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDDNRZRVHNVNHSL-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine

2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine (PubChem CID 102671342) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine
PubChem CID102671342
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine
SMILESCc1ccc(CNC2CCSC2C)cc1
InChIInChI=1S/C13H19NS/c1-10-3-5-12(6-4-10)9-14-13-7-8-15-11(13)2/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyDDNRZRVHNVNHSL-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 102672179
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylthiolan-3-amine
CID 102671917
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-methyl-N-[(4-nitrophenyl)methyl]thian-3-amine
CID 79957396
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-methyl-N-(1H-pyrazol-5-ylmethyl)thiolan-3-amine
CID 102671469
2,4,4-trimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 81321644
2-methyl-N-(2H-triazol-4-ylmethyl)thiolan-3-amine
CID 131002911
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiolan-3-amine
CID 102672726
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine (CID 102671342) is 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine is Cc1ccc(CNC2CCSC2C)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine?
The InChIKey is DDNRZRVHNVNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-3-5-12(6-4-10)9-14-13-7-8-15-11(13)2/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine?
2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 102671342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).