1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine

C16H23NS — CID 115898442

IUPAC1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSCC2)C2CC2)cc1
InChIInChI=1S/C16H23NS/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2
InChIKeyMCOPWFIVTIIMHO-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.87
Rot. Bonds5

About 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine

1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine (PubChem CID 115898442) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
PubChem CID115898442
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCSCC2)C2CC2)cc1
InChIInChI=1S/C16H23NS/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2
InChIKeyMCOPWFIVTIIMHO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-methyl-1-phenyl-2-(thian-4-yl)ethanamine
CID 105083854
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine (CID 115898442) is 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine is c1ccc(C(NCC2CCSCC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine?
The InChIKey is MCOPWFIVTIIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-4-14(5-3-1)16(15-6-7-15)17-12-13-8-10-18-11-9-13/h1-5,13,15-17H,6-12H2.
What are the key properties of 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine?
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine is sourced from PubChem (CID 115898442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).