N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine

C17H27NO2S — CID 64639395

IUPACN-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)c1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(15-5-6-15)12-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyOKMALSCMPMUMRT-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.36
Rot. Bonds8

About N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine

N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine (PubChem CID 64639395) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine
PubChem CID64639395
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)c1ccc(C(C)C)cc1)C1CC1
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(15-5-6-15)12-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyOKMALSCMPMUMRT-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine (CID 64639395) is N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine is CCCNC(CS(=O)(=O)c1ccc(C(C)C)cc1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine?
The InChIKey is OKMALSCMPMUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-11-18-17(15-5-6-15)12-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine?
N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(4-propan-2-ylphenyl)sulfonylethyl]propan-1-amine is sourced from PubChem (CID 64639395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).