N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine

C14H21NS — CID 98014943

IUPACN-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
SMILESCC(C)Sc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)16-14-7-3-12(4-8-14)9-10-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3
InChIKeyVSYYKOZVMXJBEF-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine

N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine (PubChem CID 98014943) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
PubChem CID98014943
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
SMILESCC(C)Sc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)16-14-7-3-12(4-8-14)9-10-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3
InChIKeyVSYYKOZVMXJBEF-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186
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N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
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N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine (CID 98014943) is N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine is CC(C)Sc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine?
The InChIKey is VSYYKOZVMXJBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(2)16-14-7-3-12(4-8-14)9-10-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine?
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 98014943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).