1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine

C16H25NS — CID 80584230

IUPAC1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
SMILESCCCCC(NCC1CCCS1)c1ccccc1
InChIInChI=1S/C16H25NS/c1-2-3-11-16(14-8-5-4-6-9-14)17-13-15-10-7-12-18-15/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3
InChIKeyBKNBNOWAAJSRDX-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.40
Rot. Bonds7

About 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine

1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine (PubChem CID 80584230) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
PubChem CID80584230
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
SMILESCCCCC(NCC1CCCS1)c1ccccc1
InChIInChI=1S/C16H25NS/c1-2-3-11-16(14-8-5-4-6-9-14)17-13-15-10-7-12-18-15/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3
InChIKeyBKNBNOWAAJSRDX-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(thiolan-2-ylmethyl)hexan-1-amine
CID 80584364
1,1-diphenyl-N-(thian-2-ylmethyl)methanamine
CID 80594842
1-(3-bromophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585210
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
3-[(1-phenylpentylamino)methyl]cyclobutan-1-ol
CID 66007275
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
1-(2-fluorophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 112634293
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
4-[1-(thian-2-ylmethylamino)propyl]phenol
CID 80601142
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine?
The IUPAC name of 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine (CID 80584230) is 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine is CCCCC(NCC1CCCS1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine?
The InChIKey is BKNBNOWAAJSRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-3-11-16(14-8-5-4-6-9-14)17-13-15-10-7-12-18-15/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3.
What are the key properties of 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine?
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 80584230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).