N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine

C15H23NS — CID 105139837

IUPACN-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
SMILESCNC(CCCc1ccccc1)C1CCSC1
InChIInChI=1S/C15H23NS/c1-16-15(14-10-11-17-12-14)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyAFWICJCHCZJYRT-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine

N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine (PubChem CID 105139837) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
PubChem CID105139837
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine
SMILESCNC(CCCc1ccccc1)C1CCSC1
InChIInChI=1S/C15H23NS/c1-16-15(14-10-11-17-12-14)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyAFWICJCHCZJYRT-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
CID 65412583
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
CID 105182600
1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
CID 116722293
[1-(4-methylthiomorpholin-3-yl)-4-phenylbutyl]hydrazine
CID 106446486
4-cyclopropyl-N-methyl-1-phenylpentan-3-amine
CID 115794259
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thiolan-3-yl)propan-1-amine
CID 105152122
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine?
The IUPAC name of N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine (CID 105139837) is N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine is CNC(CCCc1ccccc1)C1CCSC1.
What is the InChIKey of N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine?
The InChIKey is AFWICJCHCZJYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16-15(14-10-11-17-12-14)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3.
What are the key properties of N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine?
N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-1-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 105139837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).