N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine

C16H25NS — CID 80626640

IUPACN-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCCS1
InChIInChI=1S/C16H25NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyCXZWVQONPPFDEA-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.24
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine

N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 80626640) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
PubChem CID80626640
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)C1CCCS1
InChIInChI=1S/C16H25NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3
InChIKeyCXZWVQONPPFDEA-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627878
N-[(4-tert-butylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626646
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627639
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[thian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626465
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine (CID 80626640) is N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)C1CCCS1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is CXZWVQONPPFDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-7-17-16(15-6-5-8-18-15)14-10-12(2)9-13(3)11-14/h9-11,15-17H,4-8H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80626640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).