N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine

C15H25NS — CID 61386053

IUPACN-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCC(C)NCCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-12(2)14-6-8-15(9-7-14)17-11-5-10-16-13(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyPHYBJPOAGOZSME-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.29
Rot. Bonds7

About N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine

N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine (PubChem CID 61386053) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
PubChem CID61386053
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCC(C)NCCCSc1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NS/c1-12(2)14-6-8-15(9-7-14)17-11-5-10-16-13(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyPHYBJPOAGOZSME-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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6-(4-propan-2-ylphenyl)sulfanylhexan-2-one
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3-[4-[(propan-2-ylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66128342
2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
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6-(4-propan-2-ylphenyl)sulfanylhexan-3-one
CID 106802206
2,2-dimethyl-6-(4-propan-2-ylphenyl)sulfanylhexan-1-amine
CID 106713289
1-[3-(4-methoxyphenyl)sulfanylpropyl]-3-(4-propan-2-ylphenyl)thiourea
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The IUPAC name of N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine (CID 61386053) is N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine is CC(C)NCCCSc1ccc(C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
The InChIKey is PHYBJPOAGOZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12(2)14-6-8-15(9-7-14)17-11-5-10-16-13(3)4/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine?
N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 61386053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).