5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine

C14H21NS — CID 79941422

IUPAC5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2cccc(C(C)C)c2)CS1
InChIInChI=1S/C14H21NS/c1-10(2)12-5-4-6-13(8-12)15-14-7-11(3)16-9-14/h4-6,8,10-11,14-15H,7,9H2,1-3H3
InChIKeyPHLMBOTVFVPGPU-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.12
Rot. Bonds3

About 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine

5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine (PubChem CID 79941422) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
PubChem CID79941422
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
SMILESCC1CC(Nc2cccc(C(C)C)c2)CS1
InChIInChI=1S/C14H21NS/c1-10(2)12-5-4-6-13(8-12)15-14-7-11(3)16-9-14/h4-6,8,10-11,14-15H,7,9H2,1-3H3
InChIKeyPHLMBOTVFVPGPU-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
CID 115376345
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
2-[3-[(5-methylthiolan-3-yl)amino]phenoxy]acetamide
CID 79941354
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
CID 107678851
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine?
The IUPAC name of 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine (CID 79941422) is 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine?
The canonical SMILES for 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine is CC1CC(Nc2cccc(C(C)C)c2)CS1.
What is the InChIKey of 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine?
The InChIKey is PHLMBOTVFVPGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10(2)12-5-4-6-13(8-12)15-14-7-11(3)16-9-14/h4-6,8,10-11,14-15H,7,9H2,1-3H3.
What are the key properties of 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine?
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine has a molecular weight of 235.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine is sourced from PubChem (CID 79941422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).