N-[(4-phenylphenyl)methyl]thiolan-3-amine

C17H19NS — CID 103701499

IUPACN-[(4-phenylphenyl)methyl]thiolan-3-amine
SMILESc1ccc(-c2ccc(CNC3CCSC3)cc2)cc1
InChIInChI=1S/C17H19NS/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-17-10-11-19-13-17/h1-9,17-18H,10-13H2
InChIKeyKPECQFVNALOACR-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.95
Rot. Bonds4

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

N-[(4-phenylphenyl)methyl]thiolan-3-amine (PubChem CID 103701499) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]thiolan-3-amine
PubChem CID103701499
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-[(4-phenylphenyl)methyl]thiolan-3-amine
SMILESc1ccc(-c2ccc(CNC3CCSC3)cc2)cc1
InChIInChI=1S/C17H19NS/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-17-10-11-19-13-17/h1-9,17-18H,10-13H2
InChIKeyKPECQFVNALOACR-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiolan-3-amine
CID 61240401
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[(6-fluoro-3-pyridinyl)methyl]thiolan-3-amine
CID 131110697
trans-(1R,2R)-1-N,2-N-bis[(4-phenylphenyl)methyl]cyclohexane-1,2-diamine
CID 122225965
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]thiolan-3-amine?
The IUPAC name of N-[(4-phenylphenyl)methyl]thiolan-3-amine (CID 103701499) is N-[(4-phenylphenyl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]thiolan-3-amine is c1ccc(-c2ccc(CNC3CCSC3)cc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]thiolan-3-amine?
The InChIKey is KPECQFVNALOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-17-10-11-19-13-17/h1-9,17-18H,10-13H2.
What are the key properties of N-[(4-phenylphenyl)methyl]thiolan-3-amine?
N-[(4-phenylphenyl)methyl]thiolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]thiolan-3-amine is sourced from PubChem (CID 103701499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).