(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

C14H15NS — CID 68575225

IUPAC(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13?,14-/m0/s1
InChIKeySXKDFDDQCZPCSI-KZUDCZAMSA-N
MW229.35 g/mol
LogP3.39
Rot. Bonds4

About (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine

(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (PubChem CID 68575225) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
PubChem CID68575225
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13?,14-/m0/s1
InChIKeySXKDFDDQCZPCSI-KZUDCZAMSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine (CID 68575225) is (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCc2cccs2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is SXKDFDDQCZPCSI-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-5-11(6-3-1)13-9-14(13)15-10-12-7-4-8-16-12/h1-8,13-15H,9-10H2/t13?,14-/m0/s1.
What are the key properties of (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine?
(1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 68575225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).