1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine

C11H15NS — CID 66067005

IUPAC1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine
SMILESCc1ccc(SCC2(N)CC2)cc1
InChIInChI=1S/C11H15NS/c1-9-2-4-10(5-3-9)13-8-11(12)6-7-11/h2-5H,6-8,12H2,1H3
InChIKeyIVNUUTYUJMOHSO-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.58
Rot. Bonds3

About 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine

1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine (PubChem CID 66067005) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine
PubChem CID66067005
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine
SMILESCc1ccc(SCC2(N)CC2)cc1
InChIInChI=1S/C11H15NS/c1-9-2-4-10(5-3-9)13-8-11(12)6-7-11/h2-5H,6-8,12H2,1H3
InChIKeyIVNUUTYUJMOHSO-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine (CID 66067005) is 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine is Cc1ccc(SCC2(N)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine?
The InChIKey is IVNUUTYUJMOHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-2-4-10(5-3-9)13-8-11(12)6-7-11/h2-5H,6-8,12H2,1H3.
What are the key properties of 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine?
1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfanylmethyl]cyclopropan-1-amine is sourced from PubChem (CID 66067005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).